3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid

C13H24N2O4 — CID 114174525

IUPAC3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-12(3,6-2)15-11(18)14-9-7-19-8-13(9,4)10(16)17/h9H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyWLIYNSYCJRBYPF-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.35
Rot. Bonds5

About 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid

3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid (PubChem CID 114174525) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
PubChem CID114174525
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid
SMILESCCC(C)(CC)NC(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-5-12(3,6-2)15-11(18)14-9-7-19-8-13(9,4)10(16)17/h9H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18)
InChIKeyWLIYNSYCJRBYPF-UHFFFAOYSA-N
XLogP1.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid (CID 114174525) is 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid is CCC(C)(CC)NC(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
The InChIKey is WLIYNSYCJRBYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-12(3,6-2)15-11(18)14-9-7-19-8-13(9,4)10(16)17/h9H,5-8H2,1-4H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid?
3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylpentan-3-ylcarbamoylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 114174525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).