ChemFOnt: Showing chemical card for 4-Amino-1-piperidinecarboxylic acid (CFc000040825)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 19:42:30 UTC

Chemfont ID

CFc000040825

Molecule Identification

Common Name

4-Amino-1-piperidinecarboxylic acid

Definition

This compound belongs to the family of Piperidinecarboxylic Acids. These are compounds containing a piperidine ring which bears a carboxylic acid group.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
4-Amino-1-piperidinecarboxylate	Generator

Chemical Formula

C₆H₁₂N₂O₂

Average Molecular Weight

144.1717

Monoisotopic Molecular Weight

144.089877638

IUPAC Name

4-aminopiperidine-1-carboxylic acid

Traditional Name

4-aminopiperidine-1-carboxylic acid

CAS Registry Number

959317-82-9

SMILES

NC1CCN(CC1)C(O)=O

InChI Identifier

InChI=1S/C6H12N2O2/c7-5-1-3-8(4-2-5)6(9)10/h5H,1-4,7H2,(H,9,10)

InChI Key

NQNQKLBWDARKDG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as piperidinecarboxylic acids. Piperidinecarboxylic acids are compounds containing a piperidine ring which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Piperidines

Sub Class

Piperidinecarboxylic acids and derivatives

Direct Parent

Piperidinecarboxylic acids

Alternative Parents

Substituents

Piperidinecarboxylic acid
4-aminopiperidine
Carbamic acid
Carbamic acid derivative
Carbonic acid derivative
Azacycle
Amine
Primary amine
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Primary aliphatic amine
Carbonyl group
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

aminopiperidine (CHEBI:44262 )
piperidinemonocarboxylic acid (CHEBI:44262 )

Functional Ontology

Not Available

Exogenous (HMDB: HMDB0060385)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	549 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-3.2	ChemAxon
logS	0.58	ALOGPS
pKa (Strongest Acidic)	4.03	ChemAxon
pKa (Strongest Basic)	9.98	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.56 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	36.5 m³·mol⁻¹	ChemAxon
Polarizability	14.77 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

HMDB0060385

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C16837

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

445262

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

Showing chemical card for 4-Amino-1-piperidinecarboxylic acid (CFc000040825)

MOL for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

3D MOL for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

3D SDF for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

3D-SDF for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

PDB for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

3D PDB for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

SMILES for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

INCHI for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

Structure for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)

3D Structure for CFc000040825 (4-Amino-1-piperidinecarboxylic acid)