Basic information
- Standard SMILES
COC(=O)C(Cc1ccc(N)cc1)C(N)=O- InChIKey
CLOCMABKDDTCCB-UHFFFAOYSA-N- Molecular formula
- C11H14N2O3
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.10044231
Names & identifiers
- Preferred name
- Methyl 3-amino-2-(4-aminobenzyl)-3-oxopropanoate
- IUPAC
- methyl 3-amino-2-[(4-aminophenyl)methyl]-3-oxopropanoate
Names & synonyms
SCHEMBL15658145CLOCMABKDDTCCB-UHFFFAOYSA-Nmethyl 3-amino-2-(4-aminobenzyl)-3-oxopropanoate
Database identifiers
- PubChem CID
- 90109896
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
Related reactions
1 records
Compound notes
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