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

C16H22N2O3 — CID 114289788

IUPAC2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccccn1)NCC1CCCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c19-15(9-8-13-6-3-4-10-17-13)18-11-12-5-1-2-7-14(12)16(20)21/h3-4,6,10,12,14H,1-2,5,7-9,11H2,(H,18,19)(H,20,21)
InChIKeyWCFUJIMVBAFOFV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.02
Rot. Bonds6

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

2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 114289788) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID114289788
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(CCc1ccccn1)NCC1CCCCC1C(=O)O
InChIInChI=1S/C16H22N2O3/c19-15(9-8-13-6-3-4-10-17-13)18-11-12-5-1-2-7-14(12)16(20)21/h3-4,6,10,12,14H,1-2,5,7-9,11H2,(H,18,19)(H,20,21)
InChIKeyWCFUJIMVBAFOFV-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-2-[(pyridine-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 108732321
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81485895
trans-(1S,2R)-2-[(3-chloropropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108755885
3-amino-N-[[1-(3-pyridin-2-ylpropanoyl)piperidin-2-yl]methyl]propanamide
CID 120578303
trans-(1S,2R)-2-[(phenylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 108781407
1-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435618
trans-(1S,2R)-2-[[4-(4-chlorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108755881
trans-(1S,2R)-2-[[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108809128
N-[(1-aminocyclobutyl)methyl]-3-pyridin-2-ylpropanamide
CID 113412006
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid (CID 114289788) is 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(CCc1ccccn1)NCC1CCCCC1C(=O)O.
What is the InChIKey of 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WCFUJIMVBAFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(9-8-13-6-3-4-10-17-13)18-11-12-5-1-2-7-14(12)16(20)21/h3-4,6,10,12,14H,1-2,5,7-9,11H2,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid?
2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114289788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).