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

C7H9NO3 — CID 18690716

IUPAC2-(3-methyl-1,2-oxazol-4-yl)propanoic acid
SMILESCc1nocc1C(C)C(=O)O
InChIInChI=1S/C7H9NO3/c1-4(7(9)10)6-3-11-8-5(6)2/h3-4H,1-2H3,(H,9,10)
InChIKeyMKTFNGWHVRJINB-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.17
Rot. Bonds2

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

2-(3-methyl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 18690716) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-4-yl)propanoic acid
PubChem CID18690716
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(3-methyl-1,2-oxazol-4-yl)propanoic acid
SMILESCc1nocc1C(C)C(=O)O
InChIInChI=1S/C7H9NO3/c1-4(7(9)10)6-3-11-8-5(6)2/h3-4H,1-2H3,(H,9,10)
InChIKeyMKTFNGWHVRJINB-UHFFFAOYSA-N
XLogP1.17
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid (CID 18690716) is 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid is Cc1nocc1C(C)C(=O)O.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is MKTFNGWHVRJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4(7(9)10)6-3-11-8-5(6)2/h3-4H,1-2H3,(H,9,10).
What are the key properties of 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid?
2-(3-methyl-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 155.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 18690716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).