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

C7H11NO4 — CID 18721995

IUPAC3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1COC(=O)C1CCC(=O)O
InChIInChI=1S/C7H11NO4/c1-8-4-12-7(11)5(8)2-3-6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyWIJRBBUGDBSUPT-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.33
Rot. Bonds3

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

3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 18721995) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID18721995
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCN1COC(=O)C1CCC(=O)O
InChIInChI=1S/C7H11NO4/c1-8-4-12-7(11)5(8)2-3-6(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyWIJRBBUGDBSUPT-UHFFFAOYSA-N
XLogP-0.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid (CID 18721995) is 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is CN1COC(=O)C1CCC(=O)O.
What is the InChIKey of 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is WIJRBBUGDBSUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-8-4-12-7(11)5(8)2-3-6(9)10/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid?
3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-5-oxo-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 18721995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).