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

C7H11NO3 — CID 84650546

IUPAC3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
SMILESCC1COC(CCC(=O)O)=N1
InChIInChI=1S/C7H11NO3/c1-5-4-11-6(8-5)2-3-7(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyJDPQROJSAIBQLL-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.67
Rot. Bonds3

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

3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid (PubChem CID 84650546) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
PubChem CID84650546
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid
SMILESCC1COC(CCC(=O)O)=N1
InChIInChI=1S/C7H11NO3/c1-5-4-11-6(8-5)2-3-7(9)10/h5H,2-4H2,1H3,(H,9,10)
InChIKeyJDPQROJSAIBQLL-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate
CID 22667488
2-[3-(fluoromethyl)-3,6-dihydro-2H-1,4-oxazin-5-yl]acetic acid
CID 142715818
2-Tert-butyl-4-carboxymethyl-oxazoline
CID 22987252
Ethyl 2-(2-methyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
CID 23453463
2-Propyl-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 75088955
3-(4,5-Dihydro-1,3-oxazol-2-yl)propanoic acid
CID 84648829
2-Ethyl-4,5-dihydro-1,3-oxazole;propanoic acid
CID 89921715
Ethyl 2-(2-ethyl-4,5-dihydro-1,3-oxazol-4-yl)acetate
CID 140054633
Ethyl 3-(4,5-dihydro-1,3-oxazol-2-yl)propanoate
CID 153867666
4-(2-hydroxyethyl)-2-methyl-4H-1,3-oxazol-5-one
CID 166067120
3-(4,5-Dihydro-1,3-oxazol-2-yl)-2-methylpropanoic acid
CID 174868829
2-(2-Methyl-4,5-dihydro-1,3-oxazol-4-yl)propanoic acid
CID 174868830

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid (CID 84650546) is 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid is CC1COC(CCC(=O)O)=N1.
What is the InChIKey of 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
The InChIKey is JDPQROJSAIBQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5-4-11-6(8-5)2-3-7(9)10/h5H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid?
3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid has a molecular weight of 157.17 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 84650546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).