(4-Alanylphenyl)acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
806595-80-2- Standard SMILES
CC(N)C(=O)c1ccc(CC(=O)O)cc1- InChIKey
PGBZDKRRUJWCPJ-UHFFFAOYSA-N- Molecular formula
- C11H13NO3
- Average molar mass
- 207.23 g/mol
- Monoisotopic mass
- 207.08954328
Names & identifiers
- Preferred name
- (4-Alanylphenyl)acetic acid
- IUPAC
- 2-[4-(2-aminopropanoyl)phenyl]acetic acid
- English name
- Benzeneacetic acid, 4-(2-amino-1-oxopropyl)-
- Molecular formula
- C11H13NO3
- Molecular weight
- 207.23
Names & synonyms
806595-80-2(4-Alanylphenyl)acetic acid2-[4-(2-aminopropanoyl)phenyl]acetic acidDTXSID10669268Benzeneacetic acid, 4-(2-amino-1-oxopropyl)-
Database identifiers
- CAS
806595-80-2- PubChem CID
- 45121963
- DTXSID
DTXSID10669268
Properties
Computed structural propertiesFilling in
- XLogP
- -1.7
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…