3-methylpiperidine-3-carboxylic acid

C7H13NO2 — CID 18419695

IUPAC3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCNC1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10)3-2-4-8-5-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyDEMOKNSWMVAJPZ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.46
Rot. Bonds1

About 3-methylpiperidine-3-carboxylic acid

3-methylpiperidine-3-carboxylic acid (PubChem CID 18419695) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methylpiperidine-3-carboxylic acid
PubChem CID18419695
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCNC1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10)3-2-4-8-5-7/h8H,2-5H2,1H3,(H,9,10)
InChIKeyDEMOKNSWMVAJPZ-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methylpiperidine-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 3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 3-methylpiperidine-3-carboxylic acid (CID 18419695) is 3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCNC1.
What is the InChIKey of 3-methylpiperidine-3-carboxylic acid?
The InChIKey is DEMOKNSWMVAJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(6(9)10)3-2-4-8-5-7/h8H,2-5H2,1H3,(H,9,10).
What are the key properties of 3-methylpiperidine-3-carboxylic acid?
3-methylpiperidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 18419695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).