3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid

C11H15NO4 — CID 115034900

IUPAC3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid
SMILESCC1(c2ncc(CCC(=O)O)o2)CCCO1
InChIInChI=1S/C11H15NO4/c1-11(5-2-6-15-11)10-12-7-8(16-10)3-4-9(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeySCUIZKCDGIODFG-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.72
Rot. Bonds4

About 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid

3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid (PubChem CID 115034900) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid
PubChem CID115034900
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid
SMILESCC1(c2ncc(CCC(=O)O)o2)CCCO1
InChIInChI=1S/C11H15NO4/c1-11(5-2-6-15-11)10-12-7-8(16-10)3-4-9(13)14/h7H,2-6H2,1H3,(H,13,14)
InChIKeySCUIZKCDGIODFG-UHFFFAOYSA-N
XLogP1.72
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid (CID 115034900) is 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid is CC1(c2ncc(CCC(=O)O)o2)CCCO1.
What is the InChIKey of 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is SCUIZKCDGIODFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(5-2-6-15-11)10-12-7-8(16-10)3-4-9(13)14/h7H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid?
3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methyloxolan-2-yl)-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 115034900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).