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

C8H11NO3 — CID 83858682

IUPAC2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)on1
InChIInChI=1S/C8H11NO3/c1-5-4-6(12-9-5)8(2,3)7(10)11/h4H,1-3H3,(H,10,11)
InChIKeyMSHFHYNWUDKKNW-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.35
Rot. Bonds2

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

2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid (PubChem CID 83858682) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid
PubChem CID83858682
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid
SMILESCc1cc(C(C)(C)C(=O)O)on1
InChIInChI=1S/C8H11NO3/c1-5-4-6(12-9-5)8(2,3)7(10)11/h4H,1-3H3,(H,10,11)
InChIKeyMSHFHYNWUDKKNW-UHFFFAOYSA-N
XLogP1.35
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid (CID 83858682) is 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid is Cc1cc(C(C)(C)C(=O)O)on1.
What is the InChIKey of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
The InChIKey is MSHFHYNWUDKKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-5-4-6(12-9-5)8(2,3)7(10)11/h4H,1-3H3,(H,10,11).
What are the key properties of 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid?
2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid is sourced from PubChem (CID 83858682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).