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

C6H9NO3 — CID 84648829

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CCC1=NCCO1
InChIInChI=1S/C6H9NO3/c8-6(9)2-1-5-7-3-4-10-5/h1-4H2,(H,8,9)
InChIKeyRCUKTMOISQQFBQ-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.28
Rot. Bonds3

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

3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid (PubChem CID 84648829) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
PubChem CID84648829
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CCC1=NCCO1
InChIInChI=1S/C6H9NO3/c8-6(9)2-1-5-7-3-4-10-5/h1-4H2,(H,8,9)
InChIKeyRCUKTMOISQQFBQ-UHFFFAOYSA-N
XLogP0.28
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid (CID 84648829) is 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid is O=C(O)CCC1=NCCO1.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is RCUKTMOISQQFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c8-6(9)2-1-5-7-3-4-10-5/h1-4H2,(H,8,9).
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 143.14 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 84648829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).