Basic information
- CAS
31138-12-2- Standard SMILES
C=C(C[C@H]([NH3+])C(=O)[O-])C(N)=O- InChIKey
CEVQXWMPODOBRM-BYPYZUCNSA-N- Molecular formula
- C6H10N2O3
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.06914219
Overview
4-methylene-L-glutamine zwitterion is zwitterionic form of 4-methylene-L-glutamine having an anionic carboxy group and a cationic amino group; major species at pH 7.3. It is a tautomer of a 4-methylene-L-glutamine.
Names & identifiers
- Preferred name
- (2S)-2-ammonio-4-carbamoylpent-4-enoate
- IUPAC
- (2S)-2-azaniumyl-4-carbamoylpent-4-enoate
Names & synonyms
CHEBI:578794-methylene-L-glutamine zwitterion(2S)-2-ammonio-4-carbamoylpent-4-enoate
Database identifiers
- CAS
31138-12-2- PubChem CID
- 25201719
- ChEBI
CHEBI:57879
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 194
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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