4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid

C13H21NO4 — CID 114421923

IUPAC4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC2CCCO2)C(C(=O)O)C1
InChIInChI=1S/C13H21NO4/c1-9-4-5-14(11(7-9)13(16)17)12(15)8-10-3-2-6-18-10/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyJSSRWUMRJXRJIL-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.27
Rot. Bonds3

About 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid

4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 114421923) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID114421923
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC2CCCO2)C(C(=O)O)C1
InChIInChI=1S/C13H21NO4/c1-9-4-5-14(11(7-9)13(16)17)12(15)8-10-3-2-6-18-10/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyJSSRWUMRJXRJIL-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-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

Related Compounds

(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
4-methyl-1-[3-(oxolan-2-yl)propyl]piperidine-2-carboxylic acid
CID 114426342
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 115867436
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
4-methyl-1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylic acid
CID 115867385
4-methyl-1-[2-(propylamino)acetyl]piperidine-2-carboxylic acid
CID 115867389
1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
CID 79832834
1-[(2R)-2-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 82704997
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136843
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 65160741

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid (CID 114421923) is 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)CC2CCCO2)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is JSSRWUMRJXRJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-4-5-14(11(7-9)13(16)17)12(15)8-10-3-2-6-18-10/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid?
4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114421923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).