(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid

C11H17NO4 — CID 81118874

IUPAC(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C11H17NO4/c13-10(9-3-5-16-7-9)12-4-1-2-8(6-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9?/m1/s1
InChIKeyXNWMDOJYOAITCF-VEDVMXKPSA-N
MW227.26 g/mol
LogP0.35
Rot. Bonds2

About (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81118874) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID81118874
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)C2CCOC2)C1
InChIInChI=1S/C11H17NO4/c13-10(9-3-5-16-7-9)12-4-1-2-8(6-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9?/m1/s1
InChIKeyXNWMDOJYOAITCF-VEDVMXKPSA-N
XLogP0.35
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-(oxolane-3-carbonyl)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

Related Compounds

(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
(3R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 94917604
(3S)-1-(1,4-dioxane-2-carbonyl)piperidine-3-carboxylic acid
CID 81125447
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246
(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81126290
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxylic acid
CID 64767255
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
(3S)-1-[(2S)-oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 42257273
[(3S)-oxolan-3-yl]-[(3R)-3-phenylazepan-1-yl]methanone
CID 129354509

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid (CID 81118874) is (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)C2CCOC2)C1.
What is the InChIKey of (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is XNWMDOJYOAITCF-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H17NO4/c13-10(9-3-5-16-7-9)12-4-1-2-8(6-12)11(14)15/h8-9H,1-7H2,(H,14,15)/t8-,9?/m1/s1.
What are the key properties of (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(oxolane-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81118874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).