Basic information
- Standard SMILES
N#Cc1ccc(CNCCC(=O)O)cc1- InChIKey
YTTTUBGJMPQSJO-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 3-[4-Cyanobenzyl]aminopropanoic acid
- IUPAC
- 3-[(4-cyanophenyl)methylamino]propanoic acid
Names & synonyms
YTTTUBGJMPQSJO-UHFFFAOYSA-N3-[4-cyanobenzyl]aminopropanoic acidAKOS0001265233-{[(4-cyanophenyl)methyl]amino}propanoic acid
Database identifiers
- PubChem CID
- 16769987
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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