(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid

C15H13ClN2O3 — CID 125467429

IUPAC(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
SMILESO=C(O)C[C@H](NC(=O)c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-11-6-2-1-5-10(11)13(9-14(19)20)18-15(21)12-7-3-4-8-17-12/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyCLIUWGVEHFMULD-ZDUSSCGKSA-N
MW304.73 g/mol
LogP2.68
Rot. Bonds5

About (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid

(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid (PubChem CID 125467429) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid.

Molecular Properties

Compound Name(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
PubChem CID125467429
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC Name(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid
SMILESO=C(O)C[C@H](NC(=O)c1ccccn1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN2O3/c16-11-6-2-1-5-10(11)13(9-14(19)20)18-15(21)12-7-3-4-8-17-12/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m0/s1
InChIKeyCLIUWGVEHFMULD-ZDUSSCGKSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid?
The IUPAC name of (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid (CID 125467429) is (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid.
What is the SMILES notation for (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid?
The canonical SMILES for (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid is O=C(O)C[C@H](NC(=O)c1ccccn1)c1ccccc1Cl.
What is the InChIKey of (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid?
The InChIKey is CLIUWGVEHFMULD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c16-11-6-2-1-5-10(11)13(9-14(19)20)18-15(21)12-7-3-4-8-17-12/h1-8,13H,9H2,(H,18,21)(H,19,20)/t13-/m0/s1.
What are the key properties of (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid?
(3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid has a molecular weight of 304.73 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-chlorophenyl)-3-(pyridine-2-carbonylamino)propanoic acid is sourced from PubChem (CID 125467429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).