2-(4-Amino-4-carboxybutyl)-2-aziridinecarboxylic acid
Basic information
- CAS
125509-89-9- Standard SMILES
NC(CCCC1(C(=O)O)CN1)C(=O)O- InChIKey
PZLRXNWCQLUSBF-UHFFFAOYSA-N- Molecular formula
- C8H14N2O4
- Average molar mass
- 202.21 g/mol
- Monoisotopic mass
- 202.09535693
Overview
inhibitor of diaminopimelic acid epimerase; structure given in first source
Names & identifiers
- Preferred name
- 2-(4-Amino-4-carboxybutyl)-2-aziridinecarboxylic acid
- IUPAC
- 2-(4-amino-4-carboxybutyl)aziridine-2-carboxylic acid
- English name
- 2-(4-amino-4-carboxybutyl)-2-aziridinecarboxylic acid
- Molecular weight
- 0
Names & synonyms
Aziridino-dap125509-89-92-(4-Amino-4-carboxybutyl)-2-aziridinecarboxylic acidRefChem:84329azidapCHEMBL67332DTXSID209251605-(2-Carboxyaziridin-2-yl)norvalinePD1933382-Aziridinepentanoic acid, alpha-amino-2-carboxy-
Database identifiers
- CAS
125509-89-9- PubChem CID
- 130461
- DTXSID
DTXSID20925160- ChEMBL
CHEMBL67332- Nikkaji
- J332.042A
Properties
Computed structural properties
- XLogP
- -5.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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