Basic information
- Standard SMILES
NC(=O)C(N)CCC(=O)OCc1ccccc1- InChIKey
RHKPFPFNUDBBOM-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609238
Names & identifiers
- Preferred name
- Benzyl 4,5-diamino-5-oxopentanoate
- IUPAC
- benzyl 4,5-diamino-5-oxopentanoate
Names & synonyms
benzyl 4,5-diamino-5-oxopentanoateSCHEMBL10887274SCHEMBL10887282
Database identifiers
- PubChem CID
- 12917485
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 262
Related reactions
3 records
Compound notes
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