6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid

C9H15NO3 — CID 44827690

IUPAC6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)10-5-7(9(12)13)3-4-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyAURZNDIACRTZIX-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid

6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid (PubChem CID 44827690) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
PubChem CID44827690
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)N1CC(C(=O)O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)10-5-7(9(12)13)3-4-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyAURZNDIACRTZIX-UHFFFAOYSA-N
XLogP0.72
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-oxo-1-propan-2-ylpiperidine-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-oxo-1-propan-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid (CID 44827690) is 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid is CC(C)N1CC(C(=O)O)CCC1=O.
What is the InChIKey of 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid?
The InChIKey is AURZNDIACRTZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)10-5-7(9(12)13)3-4-8(10)11/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid?
6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propan-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 44827690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).