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

C14H24N2O4S — CID 107297361

IUPAC4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCC1CCSC1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4S/c1-2-4-16(12-8-20-7-11(12)13(17)18)14(19)15-6-10-3-5-21-9-10/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyFNSBEGLZWRLRLY-UHFFFAOYSA-N
MW316.42 g/mol
LogP1.26
Rot. Bonds6

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

4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 107297361) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID107297361
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NCC1CCSC1)C1COCC1C(=O)O
InChIInChI=1S/C14H24N2O4S/c1-2-4-16(12-8-20-7-11(12)13(17)18)14(19)15-6-10-3-5-21-9-10/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyFNSBEGLZWRLRLY-UHFFFAOYSA-N
XLogP1.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[propyl(thiolan-3-ylmethylcarbamoyl)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-[propyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133724
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[propyl(thiolan-3-yl)amino]oxolane-3-carboxylic acid
CID 66253306
4-[ethyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133723
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[(3-methylthiomorpholine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251388
4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
CID 66252918
4-[furan-2-ylmethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253468
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 107297361) is 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)NCC1CCSC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is FNSBEGLZWRLRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-2-4-16(12-8-20-7-11(12)13(17)18)14(19)15-6-10-3-5-21-9-10/h10-12H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 316.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(thiolan-3-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107297361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).