Basic information
- CAS
5462-56-6- Standard SMILES
CCC(CC)(NC(=O)c1ccccc1)C(=O)O- InChIKey
PCERNPAYEXRWNC-UHFFFAOYSA-N- Molecular formula
- C13H17NO3
- Average molar mass
- 235.28 g/mol
- Monoisotopic mass
- 235.1208434
Names & identifiers
- Preferred name
- 2-(Benzoylamino)-2-ethylbutanoic acid
- IUPAC
- 2-benzamido-2-ethylbutanoic acid
Names & synonyms
2-benzamido-2-ethylbutanoic acid5462-56-62-(benzoylamino)-2-ethylbutanoic acidNSC23282DTXSID20281859NSC-23282AKOS017580657
Database identifiers
- CAS
5462-56-6- PubChem CID
- 229529
- DTXSID
DTXSID20281859
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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