1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid

C15H20N2O3 — CID 115435809

IUPAC1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O3/c18-13(9-12-5-4-8-16-10-12)17-11-15(14(19)20)6-2-1-3-7-15/h4-5,8,10H,1-3,6-7,9,11H2,(H,17,18)(H,19,20)
InChIKeyAAALTGXPLXQOPE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.78
Rot. Bonds5

About 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115435809) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115435809
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(Cc1cccnc1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C15H20N2O3/c18-13(9-12-5-4-8-16-10-12)17-11-15(14(19)20)6-2-1-3-7-15/h4-5,8,10H,1-3,6-7,9,11H2,(H,17,18)(H,19,20)
InChIKeyAAALTGXPLXQOPE-UHFFFAOYSA-N
XLogP1.78
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[(pyridin-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436667
2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
CID 91780791
1-[[[methyl(pyridin-3-yl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436939
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
1-[[[2-(3-aminophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433600
1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107147298
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
1-[[[2-(4-fluorophenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81362285
1-[[(3-chloropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309086
1-[(pyridin-3-ylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309102
1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309066

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115435809) is 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(Cc1cccnc1)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is AAALTGXPLXQOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13(9-12-5-4-8-16-10-12)17-11-15(14(19)20)6-2-1-3-7-15/h4-5,8,10H,1-3,6-7,9,11H2,(H,17,18)(H,19,20).
What are the key properties of 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115435809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).