ChemFOnt: Showing chemical card for (1r,2s)-2-Aminocyclopentanecarboxylic acid (CFc000222576)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-14 01:43:30 UTC

Chemfont ID

CFc000222576

Molecule Identification

Common Name

(1r,2s)-2-Aminocyclopentanecarboxylic acid

Definition

(1r,2s)-2-Aminocyclopentanecarboxylic acid, also known as cispentacin or 2-aminocyclopentane-1-carboxylate, belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom. Based on a literature review very few articles have been published on (1r,2s)-2-Aminocyclopentanecarboxylic acid.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(1R,2S)-2-Aminocyclopentanecarboxylate	Generator
2-Aminocyclopentane-1-carboxylate	HMDB
Cispentacin	HMDB
Cispentacin, carboxy-(11)C-labeled	HMDB
trans-ACPC	HMDB
cis-2-Ac5c	HMDB
Cispentacin tosylate	HMDB
Cispentacin, monopotassium salt, (cis)-isomer	HMDB
Cispentacin, monosodium salt, (cis)-isomer	HMDB
Cispentacin, (cis-(+-))-isomer	HMDB
Cispentacin, (trans-(+-))-isomer	HMDB
Cispentacin, (cis)-isomer	HMDB

Chemical Formula

C₆H₁₁NO₂

Average Molecular Weight

129.159

Monoisotopic Molecular Weight

129.078978598

IUPAC Name

2-aminocyclopentane-1-carboxylic acid

Traditional Name

2-aminocyclopentane-1-carboxylic acid

CAS Registry Number

Not Available

SMILES

NC1CCCC1C(O)=O

InChI Identifier

InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)

InChI Key

JWYOAMOZLZXDER-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Substituents

Beta amino acid or derivatives
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Amine
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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	217 g/L	ALOGPS
logP	-2.4	ALOGPS
logP	-2.2	ChemAxon
logS	0.22	ALOGPS
pKa (Strongest Acidic)	4.06	ChemAxon
pKa (Strongest Basic)	10.58	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	32.42 m³·mol⁻¹	ChemAxon
Polarizability	13.46 Å³	ChemAxon
Number of Rings	1	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

HMDB0242326

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

379990

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

429614

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for (1r,2s)-2-Aminocyclopentanecarboxylic acid (CFc000222576)

MOL for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

3D MOL for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

3D SDF for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

3D-SDF for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

PDB for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

3D PDB for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

SMILES for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

INCHI for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

Structure for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)

3D Structure for CFc000222576 ((1r,2s)-2-Aminocyclopentanecarboxylic acid)