3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid

C14H23NO4 — CID 114085090

IUPAC3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCC(C(=O)N2CCCC(C)(C)C2C(=O)O)O1
InChIInChI=1S/C14H23NO4/c1-9-5-6-10(19-9)12(16)15-8-4-7-14(2,3)11(15)13(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyGHFQJCMDGIAPTG-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds2

About 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid

3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114085090) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
PubChem CID114085090
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
SMILESCC1CCC(C(=O)N2CCCC(C)(C)C2C(=O)O)O1
InChIInChI=1S/C14H23NO4/c1-9-5-6-10(19-9)12(16)15-8-4-7-14(2,3)11(15)13(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyGHFQJCMDGIAPTG-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid (CID 114085090) is 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid is CC1CCC(C(=O)N2CCCC(C)(C)C2C(=O)O)O1.
What is the InChIKey of 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is GHFQJCMDGIAPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9-5-6-10(19-9)12(16)15-8-4-7-14(2,3)11(15)13(17)18/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid?
3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(5-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114085090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).