4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid

C15H26N2O4 — CID 115293206

IUPAC4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
SMILESCC1CCC(NC(=O)NC2(C(=O)O)CCOCC2)C(C)C1
InChIInChI=1S/C15H26N2O4/c1-10-3-4-12(11(2)9-10)16-14(20)17-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyWAUMDYMZTBRKDG-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.74
Rot. Bonds3

About 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid

4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid (PubChem CID 115293206) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
PubChem CID115293206
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid
SMILESCC1CCC(NC(=O)NC2(C(=O)O)CCOCC2)C(C)C1
InChIInChI=1S/C15H26N2O4/c1-10-3-4-12(11(2)9-10)16-14(20)17-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyWAUMDYMZTBRKDG-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-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 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid (CID 115293206) is 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid is CC1CCC(NC(=O)NC2(C(=O)O)CCOCC2)C(C)C1.
What is the InChIKey of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
The InChIKey is WAUMDYMZTBRKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-10-3-4-12(11(2)9-10)16-14(20)17-15(13(18)19)5-7-21-8-6-15/h10-12H,3-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid?
4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylcyclohexyl)carbamoylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).