1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H20N2O4 — CID 64892980

IUPAC1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)NC2(C(=O)O)CCCCC2)CCOC1
InChIInChI=1S/C12H20N2O4/c13-11(6-7-18-8-11)9(15)14-12(10(16)17)4-2-1-3-5-12/h1-8,13H2,(H,14,15)(H,16,17)
InChIKeyPAAXURMNSCFYDZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.01
Rot. Bonds3

About 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64892980) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64892980
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)NC2(C(=O)O)CCCCC2)CCOC1
InChIInChI=1S/C12H20N2O4/c13-11(6-7-18-8-11)9(15)14-12(10(16)17)4-2-1-3-5-12/h1-8,13H2,(H,14,15)(H,16,17)
InChIKeyPAAXURMNSCFYDZ-UHFFFAOYSA-N
XLogP0.01
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(3-aminooxolane-3-carbonyl)amino]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-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 64892980) is 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid is NC1(C(=O)NC2(C(=O)O)CCCCC2)CCOC1.
What is the InChIKey of 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is PAAXURMNSCFYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-11(6-7-18-8-11)9(15)14-12(10(16)17)4-2-1-3-5-12/h1-8,13H2,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-aminooxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64892980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).