3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid

C8H11NO4 — CID 6484473

IUPAC3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid
SMILESCCOc1cc(CCC(=O)O)on1
InChIInChI=1S/C8H11NO4/c1-2-12-7-5-6(13-9-7)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOUVVIQHZCFTFQQ-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.09
Rot. Bonds5

About 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid

3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid (PubChem CID 6484473) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid
PubChem CID6484473
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Name3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid
SMILESCCOc1cc(CCC(=O)O)on1
InChIInChI=1S/C8H11NO4/c1-2-12-7-5-6(13-9-7)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKeyOUVVIQHZCFTFQQ-UHFFFAOYSA-N
XLogP1.09
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid?
The IUPAC name of 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid (CID 6484473) is 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid?
The canonical SMILES for 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid is CCOc1cc(CCC(=O)O)on1.
What is the InChIKey of 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid?
The InChIKey is OUVVIQHZCFTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-12-7-5-6(13-9-7)3-4-8(10)11/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid?
3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 185.18 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 6484473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).