Alanine, N-(2-chloronicotinoyl)-3-phenyl-
Basic information
- CAS
76980-23-9- Standard SMILES
O=C(NC(Cc1ccccc1)C(=O)O)c1cccnc1Cl- InChIKey
XYXVAIJEBDFXQB-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O3
- Average molar mass
- 304.73 g/mol
- Monoisotopic mass
- 304.06147
Names & identifiers
- Preferred name
- Alanine, N-(2-chloronicotinoyl)-3-phenyl-
- IUPAC
- 2-[(2-chloropyridine-3-carbonyl)amino]-3-phenylpropanoic acid
Names & synonyms
BRN 5097991N-(2-Chloronicotinoyl)-3-phenylalanineALANINE, N-(2-CHLORONICOTINOYL)-3-PHENYL-76980-23-9RefChem:317996Oprea1_460441MLS001195040CHEMBL1904002DTXSID00998251HMS2863G11CCG-15385AKOS001581046
Show more names
NCGC00245822-01SMR000554579ST50983957SR-01000395788SR-01000395788-1N-[(2-Chloropyridin-3-yl)(hydroxy)methylidene]phenylalanine2-[(2-chloro(3-pyridyl))carbonylamino]-3-phenylpropanoic acid2-{[(2-chloropyridin-3-yl)carbonyl]amino}-3-phenylpropanoic acid
Database identifiers
- CAS
76980-23-9- PubChem CID
- 53560
- DTXSID
DTXSID00998251- ChEMBL
CHEMBL1904002
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 372
Experimental & physicochemical properties
Solubility35 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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