2-Amino-4-cyanobutanoic acid
Basic information
- Standard SMILES
N#CCCC(N)C(=O)O- InChIKey
VZSTVUJXUYNIOQ-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
Overview
Alpha-amino-gamma-cyanobutanoic acid is an alpha-amino acid that is 2-aminobutanoic acid substituted at position 4 by a cyano group. It is an aliphatic nitrile and a non-proteinogenic alpha-amino acid. It is functionally related to a butyric acid.
Names & identifiers
- Preferred name
- 2-Amino-4-cyanobutanoic acid
- IUPAC
- 2-amino-4-cyanobutanoic acid
Names & synonyms
2-Amino-4-cyanobutanoic acid2-amino-4-cyano-butanoic acidRefChem:106218516051-93-7gamma-cyano-alpha-aminobutyric acidalpha-amino-gamma-cyanobutanoic acid2-amino-4-cyanobutyric acid(R)-2-Amino-4-cyanobutanoic acidalpha-Amino-gamma-cyanobutanoate5-nitrilonorvaline3-Cyano-L-homoalanineL-gamma-cyanohomoalanine
Show more names
2-Amino-4-cyanobutanateC057172-Amino-4-cyanobutanoicacidSCHEMBL1584912-Amino-4-cyano-butyric acidCHEBI:27578VZSTVUJXUYNIOQ-UHFFFAOYSA-Nalpha-amino-gamma-cyanobutyric acid
Database identifiers
- PubChem CID
- 440770
- ChEBI
CHEBI:27578- Nikkaji
- J1.940.373D
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
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Related reactions
7 records
Compound notes
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