3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid

C11H19NO4 — CID 115064688

IUPAC3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCC(C)(C)N1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)12-9(15)16-7-11(12,4)6-5-8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyGQYADYLKVYFTOC-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.86
Rot. Bonds3

About 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid

3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid (PubChem CID 115064688) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid
PubChem CID115064688
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid
SMILESCC(C)(C)N1C(=O)OCC1(C)CCC(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)12-9(15)16-7-11(12,4)6-5-8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyGQYADYLKVYFTOC-UHFFFAOYSA-N
XLogP1.86
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The IUPAC name of 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid (CID 115064688) is 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The canonical SMILES for 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid is CC(C)(C)N1C(=O)OCC1(C)CCC(=O)O.
What is the InChIKey of 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
The InChIKey is GQYADYLKVYFTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)12-9(15)16-7-11(12,4)6-5-8(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid?
3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-methyl-2-oxo-1,3-oxazolidin-4-yl)propanoic acid is sourced from PubChem (CID 115064688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).