2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid

C9H15NO3 — CID 114500310

IUPAC2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid
SMILESCC1CN(C(C)C(=O)O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-6-5-10(4-3-8(6)11)7(2)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyFIFQCJNXEULFIO-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.37
Rot. Bonds2

About 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid

2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid (PubChem CID 114500310) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid
PubChem CID114500310
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid
SMILESCC1CN(C(C)C(=O)O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-6-5-10(4-3-8(6)11)7(2)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyFIFQCJNXEULFIO-UHFFFAOYSA-N
XLogP0.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-4-oxopiperidin-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

N,N-diethyl-2-(3-methyl-4-oxopiperidin-1-yl)propanamide
CID 114500324
2-(3-methyl-4-oxopiperidin-1-yl)-N-(2-methylpropyl)propanamide
CID 114500457
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
1-[1-(4-bromophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975168
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975167
N,N,3-trimethyl-4-oxopiperidine-1-carboxamide
CID 114500015
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975170
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
(2R)-2-[(3aR,7aR)-1,3-dioxo-4,6,7,7a-tetrahydro-3aH-pyrrolo[3,4-c]pyridin-5-yl]propanoic acid
CID 129498259
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methylpiperidin-4-one
CID 54975264
2-(3,4-dimethoxypyrrolidin-1-yl)propanoic acid
CID 103535229

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid (CID 114500310) is 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid is CC1CN(C(C)C(=O)O)CCC1=O.
What is the InChIKey of 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid?
The InChIKey is FIFQCJNXEULFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6-5-10(4-3-8(6)11)7(2)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid?
2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 114500310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).