3-methylpiperidine-1,2-dicarboxylic acid

C8H13NO4 — CID 22032742

IUPAC3-methylpiperidine-1,2-dicarboxylic acid
SMILESCC1CCCN(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5-3-2-4-9(8(12)13)6(5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyVLTICIMMJSLZJA-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.85
Rot. Bonds1

About 3-methylpiperidine-1,2-dicarboxylic acid

3-methylpiperidine-1,2-dicarboxylic acid (PubChem CID 22032742) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-methylpiperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-methylpiperidine-1,2-dicarboxylic acid
PubChem CID22032742
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-methylpiperidine-1,2-dicarboxylic acid
SMILESCC1CCCN(C(=O)O)C1C(=O)O
InChIInChI=1S/C8H13NO4/c1-5-3-2-4-9(8(12)13)6(5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13)
InChIKeyVLTICIMMJSLZJA-UHFFFAOYSA-N
XLogP0.85
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methylpiperidine-1,2-dicarboxylic 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-1,2-dicarboxylic acid?
The IUPAC name of 3-methylpiperidine-1,2-dicarboxylic acid (CID 22032742) is 3-methylpiperidine-1,2-dicarboxylic acid.
What is the SMILES notation for 3-methylpiperidine-1,2-dicarboxylic acid?
The canonical SMILES for 3-methylpiperidine-1,2-dicarboxylic acid is CC1CCCN(C(=O)O)C1C(=O)O.
What is the InChIKey of 3-methylpiperidine-1,2-dicarboxylic acid?
The InChIKey is VLTICIMMJSLZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-5-3-2-4-9(8(12)13)6(5)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-methylpiperidine-1,2-dicarboxylic acid?
3-methylpiperidine-1,2-dicarboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpiperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 22032742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).