Basic information
- Standard SMILES
NC(=O)CC(NS(=O)(=O)c1ccccc1)C(=O)O- InChIKey
OHXNRHYFNANGEC-UHFFFAOYSA-N- Molecular formula
- C10H12N2O5S
- Average molar mass
- 272.28 g/mol
- Monoisotopic mass
- 272.04669266
Names & identifiers
- Preferred name
- 3-Carbamoyl-2-[(phenylsulfonyl)amino]propanoic acid
- IUPAC
- 4-amino-2-(benzenesulfonamido)-4-oxobutanoic acid
Names & synonyms
SCHEMBL8685172AKOS000134056AKOS017264071ST510427003-carbamoyl-2-[(phenylsulfonyl)amino]propanoic acid
Database identifiers
- PubChem CID
- 16777908
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 408
Related reactions
1 records
Compound notes
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