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

C7H11NO3 — CID 174868829

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1=NCCO1)C(=O)O
InChIInChI=1S/C7H11NO3/c1-5(7(9)10)4-6-8-2-3-11-6/h5H,2-4H2,1H3,(H,9,10)
InChIKeyHJIRCUAJGMYUIT-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.53
Rot. Bonds3

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

3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid (PubChem CID 174868829) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid
PubChem CID174868829
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid
SMILESCC(CC1=NCCO1)C(=O)O
InChIInChI=1S/C7H11NO3/c1-5(7(9)10)4-6-8-2-3-11-6/h5H,2-4H2,1H3,(H,9,10)
InChIKeyHJIRCUAJGMYUIT-UHFFFAOYSA-N
XLogP0.53
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.53
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)-2-methylpropanoic acid?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid (CID 174868829) is 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid is CC(CC1=NCCO1)C(=O)O.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid?
The InChIKey is HJIRCUAJGMYUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(7(9)10)4-6-8-2-3-11-6/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid?
3-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.53, 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)-2-methylpropanoic acid is sourced from PubChem (CID 174868829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).