3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid

C11H19NO3 — CID 63564342

IUPAC3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC2CCOC2)C1
InChIInChI=1S/C11H19NO3/c13-11(14)8-2-1-3-9(6-8)12-10-4-5-15-7-10/h8-10,12H,1-7H2,(H,13,14)
InChIKeySPVHTRIUTYCKQS-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds3

About 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid

3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 63564342) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid
PubChem CID63564342
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC2CCOC2)C1
InChIInChI=1S/C11H19NO3/c13-11(14)8-2-1-3-9(6-8)12-10-4-5-15-7-10/h8-10,12H,1-7H2,(H,13,14)
InChIKeySPVHTRIUTYCKQS-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(oxolan-3-ylamino)cyclohexane-1-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-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid (CID 63564342) is 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NC2CCOC2)C1.
What is the InChIKey of 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SPVHTRIUTYCKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)8-2-1-3-9(6-8)12-10-4-5-15-7-10/h8-10,12H,1-7H2,(H,13,14).
What are the key properties of 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid?
3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63564342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).