2-(Acetylamino)-2-(3-(4-chlorophenyl)-3-oxopropyl)malonic acid
Basic information
- CAS
5887-72-9- Standard SMILES
CC(=O)NC(CCC(=O)c1ccc(Cl)cc1)(C(=O)O)C(=O)O- InChIKey
ZAUMEIGSSPFLCB-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO6
- Average molar mass
- 327.71 g/mol
- Monoisotopic mass
- 327.0509649
Names & identifiers
- Preferred name
- 2-(Acetylamino)-2-(3-(4-chlorophenyl)-3-oxopropyl)malonic acid
- IUPAC
- 2-acetamido-2-[3-(4-chlorophenyl)-3-oxopropyl]propanedioic acid
Names & synonyms
5887-72-92-(Acetylamino)-2-(3-(4-chlorophenyl)-3-oxopropyl)malonic acidNSC41358NSC 41358NSC-413584R48LME9MNDTXSID40207576Malonic acid, acetamido[2-(p-chlorobenzoyl)ethyl]-Acetamido[3-(4-chlorophenyl)-3-oxopropyl]propanedioic acid2-acetamido-2-[3-(4-chlorophenyl)-3-oxo-propyl]propanedioic acidPropanedioic acid, 2-(acetylamino)-2-[3-(4-chlorophenyl)-3-oxopropyl]-
Database identifiers
- CAS
5887-72-9- PubChem CID
- 237659
- DTXSID
DTXSID40207576- UNII
- 4R48LME9MN
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
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Compound notes
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