4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

C13H24N2O4 — CID 66248574

IUPAC4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCCCN(CC)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-6-7-15(5-2)12(18)14-10-8-19-9-13(10,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyQBDOAJMCLDXFED-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds6

About 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248574) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248574
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCCCCN(CC)C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-6-7-15(5-2)12(18)14-10-8-19-9-13(10,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyQBDOAJMCLDXFED-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66248574) is 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is CCCCN(CC)C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is QBDOAJMCLDXFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-6-7-15(5-2)12(18)14-10-8-19-9-13(10,3)11(16)17/h10H,4-9H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(ethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).