6-methyl-2-oxopiperidine-3-carboxylic acid

C7H11NO3 — CID 11194465

IUPAC6-methyl-2-oxopiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)C(=O)N1
InChIInChI=1S/C7H11NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyNJLJEJJWWGMNFM-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds1

About 6-methyl-2-oxopiperidine-3-carboxylic acid

6-methyl-2-oxopiperidine-3-carboxylic acid (PubChem CID 11194465) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-methyl-2-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxopiperidine-3-carboxylic acid
PubChem CID11194465
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name6-methyl-2-oxopiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)C(=O)N1
InChIInChI=1S/C7H11NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyNJLJEJJWWGMNFM-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 6-methyl-2-oxopiperidine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxopiperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxopiperidine-3-carboxylic acid (CID 11194465) is 6-methyl-2-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxopiperidine-3-carboxylic acid is CC1CCC(C(=O)O)C(=O)N1.
What is the InChIKey of 6-methyl-2-oxopiperidine-3-carboxylic acid?
The InChIKey is NJLJEJJWWGMNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-2-3-5(7(10)11)6(9)8-4/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 6-methyl-2-oxopiperidine-3-carboxylic acid?
6-methyl-2-oxopiperidine-3-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 11194465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).