Basic information
- Standard SMILES
NC(=O)CCNc1ccc(C(=O)O)cc1- InChIKey
JWHWMKVYKBJSRR-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
Names & identifiers
- Preferred name
- 4-[(2-Carbamoylethyl)amino]benzoic acid
- IUPAC
- 4-[(3-amino-3-oxopropyl)amino]benzoic acid
Names & synonyms
4-[(2-Carbamoylethyl)amino]benzoic acid1249907-84-34-[(3-amino-3-oxopropyl)amino]benzoic acidAKOS0115137794-[(2-Carbamoylethyl)amino]benzoicacidCS-02351524-[(3-amino-3-oxo-propyl)amino]benzoic acidEN300-153347
Database identifiers
- PubChem CID
- 62231375
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
1 records
Linked notes
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