4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid

C13H24N2O4S — CID 66246530

IUPAC4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCC(C)CSC)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-4-15(11-7-19-6-10(11)12(16)17)13(18)14-5-9(2)8-20-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyXFZPELKBVNVBOX-UHFFFAOYSA-N
MW304.41 g/mol
LogP1.12
Rot. Bonds7

About 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66246530) has the molecular formula C13H24N2O4S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66246530
Molecular FormulaC13H24N2O4S
Molecular Weight304.41 g/mol
Exact Mass304.15
IUPAC Name4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCC(C)CSC)C1COCC1C(=O)O
InChIInChI=1S/C13H24N2O4S/c1-4-15(11-7-19-6-10(11)12(16)17)13(18)14-5-9(2)8-20-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyXFZPELKBVNVBOX-UHFFFAOYSA-N
XLogP1.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]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 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66246530) is 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)NCC(C)CSC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is XFZPELKBVNVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4S/c1-4-15(11-7-19-6-10(11)12(16)17)13(18)14-5-9(2)8-20-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 304.41 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).