ChemFOnt: Showing chemical card for 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid (CFc000225124)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:48:13 UTC

Chemfont ID

CFc000225124

Molecule Identification

Common Name

2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid

Definition

2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid, also known as 2-aminonorbornane-2-carboxylic acid or 2-amino-2-carboxy-bicyclo-2,2,1-heptane, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Based on a literature review very few articles have been published on 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Aminobicyclo[2.2.1]heptane-2-carboxylate	Generator
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, (1R-exo)-isomer	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, (1S-exo)-isomer	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, (exo)-isomer	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, 11C-labeled	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, exo-(+-)-isomer	HMDB
2-Aminonorbornane-2-carboxylic acid	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, (endo)-isomer	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, (1R-endo)-isomer	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, endo-(+-)-isomer	HMDB
2-Amino-2-carboxy-bicyclo-2,2,1-heptane	HMDB
2-Aminobicyclo(2,2,1)heptane-2-carboxylic acid, (1S-endo)-isomer	HMDB
BCH CPD	HMDB
b-BCH	HMDB

Chemical Formula

C₈H₁₃NO₂

Average Molecular Weight

155.1943

Monoisotopic Molecular Weight

155.094628665

IUPAC Name

2-aminobicyclo[2.2.1]heptane-2-carboxylic acid

Traditional Name

2-aminobicyclo[2.2.1]heptane-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

NC1(CC2CCC1C2)C(O)=O

InChI Identifier

InChI=1S/C8H13NO2/c9-8(7(10)11)4-5-1-2-6(8)3-5/h5-6H,1-4,9H2,(H,10,11)

InChI Key

MPUVBVXDFRDIPT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Bicyclic monoterpenoids

Alternative Parents

Substituents

Alpha-amino acid
Alpha-amino acid or derivatives
Bicyclic monoterpenoid
Amino acid or derivatives
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Organic nitrogen compound
Organic oxide
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	43.9 g/L	ALOGPS
logP	-1.7	ALOGPS
logP	-1.6	ChemAxon
logS	-0.55	ALOGPS
pKa (Strongest Acidic)	2.41	ChemAxon
pKa (Strongest Basic)	9.88	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	63.32 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	39.67 m³·mol⁻¹	ChemAxon
Polarizability	16.12 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0245588

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

103149

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

115288

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid (CFc000225124)

MOL for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

3D MOL for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

3D SDF for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

3D-SDF for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

PDB for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

3D PDB for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

SMILES for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

INCHI for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

Structure for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)

3D Structure for CFc000225124 (2-Aminobicyclo[2.2.1]heptane-2-carboxylic acid)