2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid

C13H21NO4 — CID 104595183

IUPAC2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCC(C(=O)N2CCCCC2(C)C(=O)O)O1
InChIInChI=1S/C13H21NO4/c1-9-5-6-10(18-9)11(15)14-8-4-3-7-13(14,2)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyZCNYXXLRXIXCDK-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.41
Rot. Bonds2

About 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid

2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 104595183) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID104595183
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCC(C(=O)N2CCCCC2(C)C(=O)O)O1
InChIInChI=1S/C13H21NO4/c1-9-5-6-10(18-9)11(15)14-8-4-3-7-13(14,2)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyZCNYXXLRXIXCDK-UHFFFAOYSA-N
XLogP1.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(5-methyloxolane-2-carbonyl)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

2-methyl-1-[(2R,5R)-5-methyloxolane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 138028545
2-ethyl-1-(5-methyloxolane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076202
2-methyl-1-(2-methylcyclopropanecarbonyl)piperidine-2-carboxylic acid
CID 104595064
1-(4,4-difluorocyclohexanecarbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104594727
azepan-1-yl-(5-methyloxolan-2-yl)methanone
CID 80949461
2-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79759504
1-(2,6-dimethylpiperidine-1-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597846
1-[4-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 79527352
2-methyl-1-[(2R)-piperidine-2-carbonyl]piperidine-2-carboxylic acid
CID 104914695
3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 114085090
1-(6-azaspiro[2.5]octane-2-carbonyl)-2-methylpiperidine-2-carboxylic acid
CID 104597374
1-(2,2-dimethylcyclopropanecarbonyl)-2-methylpyrrolidine-2-carboxylic acid
CID 107000430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid (CID 104595183) is 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid is CC1CCC(C(=O)N2CCCCC2(C)C(=O)O)O1.
What is the InChIKey of 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is ZCNYXXLRXIXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-5-6-10(18-9)11(15)14-8-4-3-7-13(14,2)12(16)17/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 104595183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).