2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid

C16H16N2O3 — CID 166310358

IUPAC2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
SMILESCc1ccccc1C(=O)NC(Cc1cccnc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c1-11-5-2-3-7-13(11)15(19)18-14(16(20)21)9-12-6-4-8-17-10-12/h2-8,10,14H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyFDBABWDVTFAJEW-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.82
Rot. Bonds5

About 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid

2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid (PubChem CID 166310358) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
PubChem CID166310358
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid
SMILESCc1ccccc1C(=O)NC(Cc1cccnc1)C(=O)O
InChIInChI=1S/C16H16N2O3/c1-11-5-2-3-7-13(11)15(19)18-14(16(20)21)9-12-6-4-8-17-10-12/h2-8,10,14H,9H2,1H3,(H,18,19)(H,20,21)
InChIKeyFDBABWDVTFAJEW-UHFFFAOYSA-N
XLogP1.82
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
(2S)-2-(methoxycarbonylamino)-3-pyridin-3-ylpropanoic acid
CID 59166442
(2R)-3-(1H-imidazol-5-yl)-2-[(2-methylbenzoyl)amino]propanoic acid
CID 30047772
(2S)-2-[[2-(methylamino)acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 175888348
(2R)-3-phenyl-2-[(2-pyridin-3-ylacetyl)amino]propanoic acid
CID 103804335
(2S)-2-[(2-methylbenzoyl)amino]butanedioic acid
CID 15342112
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
2-methyl-N-[2,2,2-trichloro-1-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 3104208
2-[[(1R)-1-carboxy-2-phenylethyl]carbamoyl]benzoic acid
CID 149148944
(2S)-N-cyclopentyl-1-[(2S)-2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53361812
2-[(2-methylbenzoyl)amino]-3-sulfopropanoic acid
CID 46203444

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid (CID 166310358) is 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid is Cc1ccccc1C(=O)NC(Cc1cccnc1)C(=O)O.
What is the InChIKey of 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid?
The InChIKey is FDBABWDVTFAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-5-2-3-7-13(11)15(19)18-14(16(20)21)9-12-6-4-8-17-10-12/h2-8,10,14H,9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid?
2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylbenzoyl)amino]-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 166310358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).