3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid

C16H22N2O3 — CID 82325431

IUPAC3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid
SMILESCC1CCCCC1N(CCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C16H22N2O3/c1-12-5-2-3-7-14(12)18(10-8-15(19)20)16(21)13-6-4-9-17-11-13/h4,6,9,11-12,14H,2-3,5,7-8,10H2,1H3,(H,19,20)
InChIKeyLAWPOVPJIVEDDI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.58
Rot. Bonds5

About 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid

3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 82325431) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid
PubChem CID82325431
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid
SMILESCC1CCCCC1N(CCC(=O)O)C(=O)c1cccnc1
InChIInChI=1S/C16H22N2O3/c1-12-5-2-3-7-14(12)18(10-8-15(19)20)16(21)13-6-4-9-17-11-13/h4,6,9,11-12,14H,2-3,5,7-8,10H2,1H3,(H,19,20)
InChIKeyLAWPOVPJIVEDDI-UHFFFAOYSA-N
XLogP2.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
2-[2-carboxyethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325403
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-cyclopropyl-N-[(2,6-difluorophenyl)methyl]pyridine-3-carboxamide
CID 99795295
3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325412
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
3-[cyclopropyl-(3-methylbenzoyl)amino]propanoic acid
CID 54926450
N-piperidin-3-yl-N-propylpyridine-3-carboxamide
CID 63638133
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 11941095
N-methyl-N-[4-(methylamino)cyclohexyl]pyridine-3-carboxamide
CID 79122394

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid (CID 82325431) is 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid is CC1CCCCC1N(CCC(=O)O)C(=O)c1cccnc1.
What is the InChIKey of 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is LAWPOVPJIVEDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-5-2-3-7-14(12)18(10-8-15(19)20)16(21)13-6-4-9-17-11-13/h4,6,9,11-12,14H,2-3,5,7-8,10H2,1H3,(H,19,20).
What are the key properties of 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid?
3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)-(pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 82325431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).