1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid

C12H19NO4 — CID 61273041

IUPAC1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)C1CCOC1
InChIInChI=1S/C12H19NO4/c14-10(9-4-7-17-8-9)13-12(11(15)16)5-2-1-3-6-12/h9H,1-8H2,(H,13,14)(H,15,16)
InChIKeyKTAFTJRAORRPBX-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.93
Rot. Bonds3

About 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid

1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 61273041) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID61273041
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)C1CCOC1
InChIInChI=1S/C12H19NO4/c14-10(9-4-7-17-8-9)13-12(11(15)16)5-2-1-3-6-12/h9H,1-8H2,(H,13,14)(H,15,16)
InChIKeyKTAFTJRAORRPBX-UHFFFAOYSA-N
XLogP0.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(oxolane-3-carbonylamino)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 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 61273041) is 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)C1CCOC1.
What is the InChIKey of 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is KTAFTJRAORRPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-10(9-4-7-17-8-9)13-12(11(15)16)5-2-1-3-6-12/h9H,1-8H2,(H,13,14)(H,15,16).
What are the key properties of 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid?
1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolane-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61273041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).