3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid

C8H13NO4 — CID 18721994

IUPAC3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1COC(=O)C1(C)CCC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(4-3-6(10)11)7(12)13-5-9(8)2/h3-5H2,1-2H3,(H,10,11)
InChIKeyQYBTWHVAEHXYQL-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.06
Rot. Bonds3

About 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid

3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 18721994) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID18721994
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1COC(=O)C1(C)CCC(=O)O
InChIInChI=1S/C8H13NO4/c1-8(4-3-6(10)11)7(12)13-5-9(8)2/h3-5H2,1-2H3,(H,10,11)
InChIKeyQYBTWHVAEHXYQL-UHFFFAOYSA-N
XLogP0.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (CID 18721994) is 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is CN1COC(=O)C1(C)CCC(=O)O.
What is the InChIKey of 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is QYBTWHVAEHXYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-8(4-3-6(10)11)7(12)13-5-9(8)2/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 187.19 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 18721994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).