3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid

C8H13NO4 — CID 115064690

IUPAC3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(4-3-6(10)11)5-13-7(12)9(8)2/h3-5H2,1-2H3,(H,10,11)
InChIKeyPHPZMXSSHIDRQF-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.69
Rot. Bonds3

About 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid

3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 115064690) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID115064690
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(4-3-6(10)11)5-13-7(12)9(8)2/h3-5H2,1-2H3,(H,10,11)
InChIKeyPHPZMXSSHIDRQF-UHFFFAOYSA-N
XLogP0.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic 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-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid (CID 115064690) is 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid is CN1C(=O)OCC1(C)CCC(=O)O.
What is the InChIKey of 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is PHPZMXSSHIDRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(4-3-6(10)11)5-13-7(12)9(8)2/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 187.19 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 115064690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).