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

C9H13NO3 — CID 82407338

IUPAC3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
SMILESCc1cc(C(C(=O)O)C(C)C)on1
InChIInChI=1S/C9H13NO3/c1-5(2)8(9(11)12)7-4-6(3)10-13-7/h4-5,8H,1-3H3,(H,11,12)
InChIKeyJGCUSDPDALBKQZ-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.81
Rot. Bonds3

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

3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid (PubChem CID 82407338) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
PubChem CID82407338
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
SMILESCc1cc(C(C(=O)O)C(C)C)on1
InChIInChI=1S/C9H13NO3/c1-5(2)8(9(11)12)7-4-6(3)10-13-7/h4-5,8H,1-3H3,(H,11,12)
InChIKeyJGCUSDPDALBKQZ-UHFFFAOYSA-N
XLogP1.81
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Methyl-1,2-oxazol-5-yl)acetic acid
CID 4195532
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
3(t-Butyl)isoxazole-5-yl-acetic acid
CID 16638605
4-(3-Methyl-1,2-oxazol-5-yl)oxane-4-carboxylic acid
CID 82394680
1-(3-Methyl-1,2-oxazol-5-yl)cyclopropane-1-carboxylic acid
CID 82597269
2-(3-Methyl-1,2-oxazol-5-yl)butanoic acid
CID 82597890
2-Methyl-2-(3-methyl-1,2-oxazol-5-yl)propanoic acid
CID 83858682
Myxofacycline A
CID 169492381
Myxofacycline B
CID 169492382
Myxofacycline C
CID 169492383
2-(3-Cyclopropyl-1,2-oxazol-5-yl)acetic acid
CID 82413976
1-(3-Methyl-1,2-oxazol-5-yl)cyclopentane-1-carboxylic acid
CID 82606121

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid (CID 82407338) is 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid is Cc1cc(C(C(=O)O)C(C)C)on1.
What is the InChIKey of 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
The InChIKey is JGCUSDPDALBKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(2)8(9(11)12)7-4-6(3)10-13-7/h4-5,8H,1-3H3,(H,11,12).
What are the key properties of 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid?
3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 82407338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).