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

C7H11NO3 — CID 174868830

IUPAC2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESCC1=NC(C(C)C(=O)O)CO1
InChIInChI=1S/C7H11NO3/c1-4(7(9)10)6-3-11-5(2)8-6/h4,6H,3H2,1-2H3,(H,9,10)
InChIKeyFQZXHUDBMCZBGZ-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.52
Rot. Bonds2

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

2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (PubChem CID 174868830) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
PubChem CID174868830
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
SMILESCC1=NC(C(C)C(=O)O)CO1
InChIInChI=1S/C7H11NO3/c1-4(7(9)10)6-3-11-5(2)8-6/h4,6H,3H2,1-2H3,(H,9,10)
InChIKeyFQZXHUDBMCZBGZ-UHFFFAOYSA-N
XLogP0.52
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The IUPAC name of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid (CID 174868830) is 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The canonical SMILES for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is CC1=NC(C(C)C(=O)O)CO1.
What is the InChIKey of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
The InChIKey is FQZXHUDBMCZBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(7(9)10)6-3-11-5(2)8-6/h4,6H,3H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid?
2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 174868830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).