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

C9H15NO4 — CID 21132241

IUPAC3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCCC1(CCC(=O)O)C(=O)OCN1C
InChIInChI=1S/C9H15NO4/c1-3-9(5-4-7(11)12)8(13)14-6-10(9)2/h3-6H2,1-2H3,(H,11,12)
InChIKeyIBLWOEZBCFRUTH-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.45
Rot. Bonds4

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

3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 21132241) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID21132241
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCCC1(CCC(=O)O)C(=O)OCN1C
InChIInChI=1S/C9H15NO4/c1-3-9(5-4-7(11)12)8(13)14-6-10(9)2/h3-6H2,1-2H3,(H,11,12)
InChIKeyIBLWOEZBCFRUTH-UHFFFAOYSA-N
XLogP0.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (CID 21132241) is 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is CCC1(CCC(=O)O)C(=O)OCN1C.
What is the InChIKey of 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is IBLWOEZBCFRUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-3-9(5-4-7(11)12)8(13)14-6-10(9)2/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 201.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 21132241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).