3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid

C15H25NO4 — CID 120532697

IUPAC3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C1CCC(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C15H25NO4/c1-10(2)11-3-5-12(6-4-11)13(17)16-15(14(18)19)7-8-20-9-15/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDPPQQGZSAODXHZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds4

About 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid

3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 120532697) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID120532697
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)C1CCC(C(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C15H25NO4/c1-10(2)11-3-5-12(6-4-11)13(17)16-15(14(18)19)7-8-20-9-15/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyDPPQQGZSAODXHZ-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid (CID 120532697) is 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid is CC(C)C1CCC(C(=O)NC2(C(=O)O)CCOC2)CC1.
What is the InChIKey of 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DPPQQGZSAODXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-10(2)11-3-5-12(6-4-11)13(17)16-15(14(18)19)7-8-20-9-15/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid?
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 120532697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).