2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid

C14H23NO3 — CID 79553334

IUPAC2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C14H23NO3/c1-10(14(17)18)15-9-5-4-7-12(15)11-6-2-3-8-13(11)16/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyLUDSVXXVWADUHH-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.07
Rot. Bonds3

About 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid

2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid (PubChem CID 79553334) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid
PubChem CID79553334
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCCC1C1CCCCC1=O
InChIInChI=1S/C14H23NO3/c1-10(14(17)18)15-9-5-4-7-12(15)11-6-2-3-8-13(11)16/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyLUDSVXXVWADUHH-UHFFFAOYSA-N
XLogP2.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid
CID 79552951
N-methyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79546445
2-[2-(2-oxocyclopentyl)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 79544722
ethyl 2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanoate
CID 79546859
2-[1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79535811
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]propanamide
CID 79535858
N-ethyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79545380
N-butyl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79538902
N-butan-2-yl-2-[2-(2-oxocyclopentyl)piperidin-1-yl]propanamide
CID 79537615
ethyl (2S)-2-[(3aR,8aS)-4-oxo-2,3,3a,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]propanoate
CID 82017413
2-(1-propan-2-ylpyrrolidin-2-yl)cyclopentan-1-one
CID 79544025
N-tert-butyl-2-[2-(2-oxocyclopentyl)pyrrolidin-1-yl]propanamide
CID 79544175

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid (CID 79553334) is 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid is CC(C(=O)O)N1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid?
The InChIKey is LUDSVXXVWADUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(14(17)18)15-9-5-4-7-12(15)11-6-2-3-8-13(11)16/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid?
2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid has a molecular weight of 253.34 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-oxocyclohexyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 79553334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).