DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-

Substructure search Find similar structures

Basic information

CAS: 118597-19-6
Standard SMILES: Cc1cccc(C)c1N(C(=O)c1ccco1)[C@@H](C)C(=O)O
InChIKey: PCXKMKRDFUHMQU-LBPRGKRZSA-N
Molecular formula: C16H17NO4
Average molar mass: 287.31 g/mol
Monoisotopic mass: 287.11575802

Names & identifiers

Preferred name: DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-
IUPAC: (2S)-2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoic acid

Names & synonyms

DL-Alanine, N-(2,6-dimethylphenyl)-N-(2-furanylcarbonyl)-(2S)-2-[N-(furan-2-carbonyl)-2,6-dimethylanilino]propanoic acid118597-19-6SCHEMBL4058016DTXSID50922723N-(2,6-Dimethylphenyl)-N-(furan-2-carbonyl)alanineN-(2,6-Dimethylphenyl)-N-(furan-2-carbonyl)-L-alanine

Database identifiers

CAS: 118597-19-6
PubChem CID: 189573
DTXSID: DTXSID50922723

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 70.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 388

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…