Basic information
- CAS
170847-09-3- Standard SMILES
CC(C)C(N)(C(=O)O)c1ccc(C(=O)O)cc1- InChIKey
WPNBHUOSFUQCBU-UHFFFAOYSA-N- Molecular formula
- C12H15NO4
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.10010796
Names & identifiers
- Preferred name
- 4-(1-Amino-1-carboxy-2-methylpropyl)benzoic acid
- IUPAC
- 4-(1-amino-1-carboxy-2-methylpropyl)benzoic acid
Names & synonyms
DTXSID801212799170847-09-34-(1-amino-1-carboxy-2-methylpropyl)benzoic acidI+/--Amino-4-carboxy-I+/--(1-methylethyl)benzeneacetic acid
Database identifiers
- CAS
170847-09-3- PubChem CID
- 10466675
- DTXSID
DTXSID801212799
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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