(R)-beta-alanopine
Basic information
- CAS
2254-38-8- Standard SMILES
C[C@@H](NCCC(=O)O)C(=O)O- InChIKey
OAWHMSFCLIYBHE-SCSAIBSYSA-N- Molecular formula
- C6H11NO4
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.06880783
Overview
(R)-beta-alanopine is the N-(2-carboxyethyl) derivative of L-alanine. It is a conjugate acid of a (R)-beta-alanopine(1-). It is an enantiomer of a (S)-beta-alanopine.
Names & identifiers
- Preferred name
- (R)-beta-alanopine
- IUPAC
- (2R)-2-(2-carboxyethylamino)propanoic acid
Names & synonyms
(R)-beta-alanopineN-(2-carboxyethyl)-D-alanine(2R)-2-[(2-carboxyethyl)amino]propanoic acid2254-38-8CHEBI:50531DTXSID40648026(2R)-2-((2-carboxyethyl)amino)propanoic acidRefChem:70288DTXCID60598776C02207Q27122103
Database identifiers
- CAS
2254-38-8- PubChem CID
- 24906320
- DTXSID
DTXSID40648026- ChEBI
CHEBI:50531- Nikkaji
- J1.096.027D
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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