3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid

C9H15NO4 — CID 63645325

IUPAC3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
SMILESCC(C)(C)C(C(=O)O)N1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)6(7(11)12)10-4-5-14-8(10)13/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyNRLJWJORFRZMIJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.94
Rot. Bonds2

About 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid

3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid (PubChem CID 63645325) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
PubChem CID63645325
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid
SMILESCC(C)(C)C(C(=O)O)N1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)6(7(11)12)10-4-5-14-8(10)13/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyNRLJWJORFRZMIJ-UHFFFAOYSA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic 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 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid?
The IUPAC name of 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid (CID 63645325) is 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid is CC(C)(C)C(C(=O)O)N1CCOC1=O.
What is the InChIKey of 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid?
The InChIKey is NRLJWJORFRZMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)6(7(11)12)10-4-5-14-8(10)13/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid?
3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)butanoic acid is sourced from PubChem (CID 63645325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).