3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid

C9H11NO3 — CID 83828308

IUPAC3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cnoc1C1CC1
InChIInChI=1S/C9H11NO3/c11-8(12)4-3-7-5-10-13-9(7)6-1-2-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJCVYJNIOUIGXBI-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.57
Rot. Bonds4

About 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid

3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 83828308) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
PubChem CID83828308
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid
SMILESO=C(O)CCc1cnoc1C1CC1
InChIInChI=1S/C9H11NO3/c11-8(12)4-3-7-5-10-13-9(7)6-1-2-6/h5-6H,1-4H2,(H,11,12)
InChIKeyJCVYJNIOUIGXBI-UHFFFAOYSA-N
XLogP1.57
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid (CID 83828308) is 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid is O=C(O)CCc1cnoc1C1CC1.
What is the InChIKey of 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is JCVYJNIOUIGXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-8(12)4-3-7-5-10-13-9(7)6-1-2-6/h5-6H,1-4H2,(H,11,12).
What are the key properties of 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid?
3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 181.19 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 83828308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).