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

C16H22N2O3 — CID 115435618

IUPAC1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccccn1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c19-14(8-7-13-6-2-5-11-17-13)18-12-16(15(20)21)9-3-1-4-10-16/h2,5-6,11H,1,3-4,7-10,12H2,(H,18,19)(H,20,21)
InChIKeyFFCVVFCVTZGALY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.17
Rot. Bonds6

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

1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 115435618) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID115435618
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccccn1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O3/c19-14(8-7-13-6-2-5-11-17-13)18-12-16(15(20)21)9-3-1-4-10-16/h2,5-6,11H,1,3-4,7-10,12H2,(H,18,19)(H,20,21)
InChIKeyFFCVVFCVTZGALY-UHFFFAOYSA-N
XLogP2.17
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide
CID 113412006
1-[[[methyl(2-pyridin-2-ylethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451209
1-[[3-(4-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120545011
1-[(3-phenylsulfanylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 120544551
1-[[3-(3-bromophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544919
1-[[3-(2,3-difluorophenyl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544257
N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81485895
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
1-[[[2-(3-methyl-2-pyridinyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107147298

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (CID 115435618) is 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(CCc1ccccn1)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FFCVVFCVTZGALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(8-7-13-6-2-5-11-17-13)18-12-16(15(20)21)9-3-1-4-10-16/h2,5-6,11H,1,3-4,7-10,12H2,(H,18,19)(H,20,21).
What are the key properties of 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115435618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).