4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

C15H26N2O4 — CID 66254172

IUPAC4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NC1CCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-8-17(13-10-21-9-12(13)14(18)19)15(20)16-11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNVOJGVZJUJIRDT-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66254172) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66254172
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NC1CCCCC1)C1COCC1C(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-8-17(13-10-21-9-12(13)14(18)19)15(20)16-11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyNVOJGVZJUJIRDT-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[cyclohexylcarbamoyl(propyl)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

Related Compounds

4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
CID 66252918
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245153
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 107297361

Frequently Asked Questions

What is the IUPAC name of 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (CID 66254172) is 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)NC1CCCCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is NVOJGVZJUJIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-8-17(13-10-21-9-12(13)14(18)19)15(20)16-11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66254172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).