L-alpha,beta-Diaminopropionic acid
Basic information
- CAS
4033-39-0- Standard SMILES
NC[C@H](N)C(=O)O- InChIKey
PECYZEOJVXMISF-REOHCLBHSA-N- Molecular formula
- C3H8N2O2
- Average molar mass
- 104.11 g/mol
- Monoisotopic mass
- 104.0585775
Overview
3-amino-L-alanine is a 3-aminoalanine that has S configuration. It is a 3-aminoalanine, a non-proteinogenic L-alpha-amino acid and a L-alanine derivative. It is a conjugate base of a 3-ammonio-L-alanine and a 3-ammonio-L-alanine(1+). It is a conjugate acid of a 3-amino-L-alaninate. It is an enantiomer of a 3-amino-D-alanine. It is a tautomer of a 3-amino-L-alanine zwitterion.
Names & identifiers
- Preferred name
- L-alpha,beta-Diaminopropionic acid
- IUPAC
- (2S)-2,3-diaminopropanoic acid
- English name
- L-2,3-Diaminopropionic acid
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
Names & synonyms
4033-39-0L-2,3-Diaminopropanoic acidL-2,3-DiaminopropanoateJE1TUV83JA2,3-Diaminopropionic acid, (+)-L-2,3-DiaminopropionateNSC-115849RefChem:1088113L-alpha,beta-Diaminopropionic acidL-2,3-Diaminopropionic acid(S)-2,3-Diaminopropanoic acid(2S)-2,3-diaminopropanoic acid
Show more names
H-Dap-OHL-DapL-2,3-Diaminopropion(S)-2,3-Diaminopropionic acid(2S)-2,3-Diaminopropionic acid[S,(+)]-2,3-Diaminopropionic acid
3-amino-L-alanineL-Alanine, 3-amino-diaminopropanoic acid2,3-diamino-propionic acidMFCD092652682S,3-diamino-propionic acid(2S)-2,3-diaminopropanoate(S)-2,3-diaminopropanoate
Database identifiers
- CAS
4033-39-0- PubChem CID
- 97328
- DTXSID
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 73.3
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 325.6 · 325.6±32.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Soluble in DMSO
- pka
- 1.76 · 1.76±0.10(Predicted)
- FDA UNII
- 1 TUV83JA · JE1TUV83JA
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses2, 3-Diaminopropionic acid is a metabolite of b-oxalyl-L-a, b-diaminopropionic acid a neurotoxic amino acid (ODAP).
Additional notes
DefinitionChEBI: 3-amino-L-alanine is a 3-aminoalanine that has S configuration. It is a L-alanine derivative, a non-proteinogenic L-alpha-amino acid and a 3-aminoalanine. It is a conjugate base of a 3-ammonio-L-alanine(1+) and a 3-ammonio-L-alanine. It is a conjugate acid of a 3-amino-L-alaninate. It is an enantiomer of a 3-amino-D-alanine. It is a tautomer of a 3-amino-L-alanine zwitterion.
Related reactions
2 records
Compound notes
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