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

C6H9NO3 — CID 126673994

IUPAC2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1=NCCO1
InChIInChI=1S/C6H9NO3/c1-4(6(8)9)5-7-2-3-10-5/h4H,2-3H2,1H3,(H,8,9)
InChIKeyRWUMYMIEEQNMNM-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.14
Rot. Bonds2

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

2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid (PubChem CID 126673994) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
PubChem CID126673994
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1=NCCO1
InChIInChI=1S/C6H9NO3/c1-4(6(8)9)5-7-2-3-10-5/h4H,2-3H2,1H3,(H,8,9)
InChIKeyRWUMYMIEEQNMNM-UHFFFAOYSA-N
XLogP0.14
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid (CID 126673994) is 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid is CC(C(=O)O)C1=NCCO1.
What is the InChIKey of 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is RWUMYMIEEQNMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(6(8)9)5-7-2-3-10-5/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 143.14 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 126673994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).