5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one

C10H19NO2 — CID 130635351

IUPAC5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one
SMILESCC1CC(NC(C)C(C)C)C(=O)O1
InChIInChI=1S/C10H19NO2/c1-6(2)8(4)11-9-5-7(3)13-10(9)12/h6-9,11H,5H2,1-4H3
InChIKeyCIAKITCXRMDZTL-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.32
Rot. Bonds3

About 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one

5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one (PubChem CID 130635351) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one.

Molecular Properties

Compound Name5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one
PubChem CID130635351
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one
SMILESCC1CC(NC(C)C(C)C)C(=O)O1
InChIInChI=1S/C10H19NO2/c1-6(2)8(4)11-9-5-7(3)13-10(9)12/h6-9,11H,5H2,1-4H3
InChIKeyCIAKITCXRMDZTL-UHFFFAOYSA-N
XLogP1.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one 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 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one?
The IUPAC name of 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one (CID 130635351) is 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one.
What is the SMILES notation for 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one?
The canonical SMILES for 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one is CC1CC(NC(C)C(C)C)C(=O)O1.
What is the InChIKey of 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one?
The InChIKey is CIAKITCXRMDZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)8(4)11-9-5-7(3)13-10(9)12/h6-9,11H,5H2,1-4H3.
What are the key properties of 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one?
5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-methylbutan-2-ylamino)oxolan-2-one is sourced from PubChem (CID 130635351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).