1-(2-methylpropanoyl)piperidine-3-carboxylic acid

C10H17NO3 — CID 16778170

IUPAC1-(2-methylpropanoyl)piperidine-3-carboxylic acid
SMILESCC(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-7(2)9(12)11-5-3-4-8(6-11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyAQQXGLGQEUMZDG-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds2

About 1-(2-methylpropanoyl)piperidine-3-carboxylic acid

1-(2-methylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 16778170) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropanoyl)piperidine-3-carboxylic acid
PubChem CID16778170
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(2-methylpropanoyl)piperidine-3-carboxylic acid
SMILESCC(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-7(2)9(12)11-5-3-4-8(6-11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14)
InChIKeyAQQXGLGQEUMZDG-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methylpropanoyl)piperidine-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 1-(2-methylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropanoyl)piperidine-3-carboxylic acid (CID 16778170) is 1-(2-methylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropanoyl)piperidine-3-carboxylic acid is CC(C)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-methylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is AQQXGLGQEUMZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)9(12)11-5-3-4-8(6-11)10(13)14/h7-8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylpropanoyl)piperidine-3-carboxylic acid?
1-(2-methylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 16778170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).