3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid

C16H15ClN2O3 — CID 90093846

IUPAC3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(CC(=O)O)c2ccccc2Cl)n1
InChIInChI=1S/C16H15ClN2O3/c1-10-5-4-8-13(18-10)16(22)19-14(9-15(20)21)11-6-2-3-7-12(11)17/h2-8,14H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyRWABTINFVZFBGM-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.99
Rot. Bonds5

About 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid

3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid (PubChem CID 90093846) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
PubChem CID90093846
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(CC(=O)O)c2ccccc2Cl)n1
InChIInChI=1S/C16H15ClN2O3/c1-10-5-4-8-13(18-10)16(22)19-14(9-15(20)21)11-6-2-3-7-12(11)17/h2-8,14H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyRWABTINFVZFBGM-UHFFFAOYSA-N
XLogP2.99
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid (CID 90093846) is 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid is Cc1cccc(C(=O)NC(CC(=O)O)c2ccccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
The InChIKey is RWABTINFVZFBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10-5-4-8-13(18-10)16(22)19-14(9-15(20)21)11-6-2-3-7-12(11)17/h2-8,14H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid?
3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid has a molecular weight of 318.76 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 90093846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).