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

C7H11NO4 — CID 60773665

IUPAC2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid
SMILESCC(CN1CCOC1=O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-5(6(9)10)4-8-2-3-12-7(8)11/h5H,2-4H2,1H3,(H,9,10)
InChIKeyGGFBKABHTQDJLT-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.16
Rot. Bonds3

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

2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid (PubChem CID 60773665) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid
PubChem CID60773665
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid
SMILESCC(CN1CCOC1=O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-5(6(9)10)4-8-2-3-12-7(8)11/h5H,2-4H2,1H3,(H,9,10)
InChIKeyGGFBKABHTQDJLT-UHFFFAOYSA-N
XLogP0.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid (CID 60773665) is 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid is CC(CN1CCOC1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
The InChIKey is GGFBKABHTQDJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-5(6(9)10)4-8-2-3-12-7(8)11/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid?
2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid has a molecular weight of 173.17 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)propanoic acid is sourced from PubChem (CID 60773665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).