4-Methylene-L-glutamine
Basic information
- CAS
31138-12-2- Standard SMILES
C=C(C[C@H](N)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 is a non-proteinogenic L-alpha-amino acid that is L-glutamine in which the hydrogens attached to the carbon gamma to the carboxy group are replaced by a methylene group. It is a tautomer of a 4-methylene-L-glutamine zwitterion.
Names & identifiers
- Preferred name
- 4-Methylene-L-glutamine
- IUPAC
- (2S)-2-amino-4-carbamoylpent-4-enoic acid
Names & synonyms
4-Methylene-L-glutamine(2S)-2-amino-4-carbamoylpent-4-enoic acidCHEBI:16747DTXSID30331410(2S)-2-azaniumyl-4-carbamoylpent-4-enoateRefChem:1071162DTXCID80282504(2S)-2-amino-4-carbamoylpent-4-enoic acid;4-methylidene-L-glutamine31138-12-24-methylidene-L-glutamine(S)-2-Amino-4-carbamoylpent-4-enoic acid4-methyleneglutamine
Show more names
C01109SCHEMBL1331820CHEMBL5283079(S)-2-Amino-4-carbamoylpent-4-enoicacidQ27102056
Database identifiers
- CAS
31138-12-2- PubChem CID
- 439401
- DTXSID
DTXSID30331410- ChEMBL
CHEMBL5283079- ChEBI
CHEBI:16747- Nikkaji
- J227.459K
Properties
Computed structural properties
- XLogP
- -3.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
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Related reactions
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Compound notes
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