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

C6H9NO4 — CID 105431137

IUPAC3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid
SMILESO=C(O)CCN1OCCC1=O
InChIInChI=1S/C6H9NO4/c8-5-2-4-11-7(5)3-1-6(9)10/h1-4H2,(H,9,10)
InChIKeyJTHYICYGGFVFOT-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.38
Rot. Bonds3

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

3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid (PubChem CID 105431137) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid
PubChem CID105431137
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid
SMILESO=C(O)CCN1OCCC1=O
InChIInChI=1S/C6H9NO4/c8-5-2-4-11-7(5)3-1-6(9)10/h1-4H2,(H,9,10)
InChIKeyJTHYICYGGFVFOT-UHFFFAOYSA-N
XLogP-0.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-6-(3-oxooxazinan-2-yl)hexanoic acid
CID 59102707
4-(3-oxo-1,2-oxazolidin-2-yl)butanenitrile
CID 150030113
2-(3-hydroxybutyl)oxazinan-3-one
CID 105435473
2-(2-pyrrolidin-3-ylethyl)-1,2-oxazolidin-3-one
CID 105441242
3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
CID 13085943
2-(3-aminopropyl)oxazinan-3-one
CID 105430957
3-(3,5-dioxopiperazin-1-yl)propanoic acid
CID 66085521
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
butanedioic acid;(6Z)-2,3-dihydro-1,4-dioxocine-5,8-dione
CID 88728346
3-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 68832075
4-[3-(2-carboxyethyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]butanoic acid
CID 149034564
3-(2-oxo-1,3,4-oxadiazol-3-yl)propanoic acid
CID 83815576

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid?
The IUPAC name of 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid (CID 105431137) is 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid?
The canonical SMILES for 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid is O=C(O)CCN1OCCC1=O.
What is the InChIKey of 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid?
The InChIKey is JTHYICYGGFVFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5-2-4-11-7(5)3-1-6(9)10/h1-4H2,(H,9,10).
What are the key properties of 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid?
3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid has a molecular weight of 159.14 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1,2-oxazolidin-2-yl)propanoic acid is sourced from PubChem (CID 105431137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).