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

C9H13NO3 — CID 83828593

IUPAC2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid
SMILESCC(C)c1cc(C(C)C(=O)O)no1
InChIInChI=1S/C9H13NO3/c1-5(2)8-4-7(10-13-8)6(3)9(11)12/h4-6H,1-3H3,(H,11,12)
InChIKeyGPGDRPNYQXDYCX-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.99
Rot. Bonds3

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

2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid (PubChem CID 83828593) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid
PubChem CID83828593
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid
SMILESCC(C)c1cc(C(C)C(=O)O)no1
InChIInChI=1S/C9H13NO3/c1-5(2)8-4-7(10-13-8)6(3)9(11)12/h4-6H,1-3H3,(H,11,12)
InChIKeyGPGDRPNYQXDYCX-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-Phenyl-1,2-oxazol-3-yl)acetic acid
CID 23423467
5-Methyl-3-isoxazolepropionic acid
CID 133360
6-(5-Heptyl-1,2-oxazol-3-yl)hexanoic acid
CID 155534755
2-(5-(Trifluoromethyl)isoxazol-3-yl)acetic acid
CID 2333001
5-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acid
CID 1133642
3-(3-Methyl-1,2-oxazol-5-yl)propanoic acid
CID 10419396
5-Methyl-3-isoxazoleacetic acid
CID 12278254
2-(3-Tert-butyl-1,2-oxazol-5-yl)acetic acid
CID 16638605
Methyl 2-(5-methyl-1,2-oxazol-3-yl)acetate
CID 45117967
3-(Butan-2-yl)-1,2-oxazole-5-carboxylic acid
CID 54595047
3-Methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
CID 82407338
4-(3-Methyl-1,2-oxazol-5-yl)butanoic acid
CID 82412955

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid?
The IUPAC name of 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid (CID 83828593) is 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid is CC(C)c1cc(C(C)C(=O)O)no1.
What is the InChIKey of 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid?
The InChIKey is GPGDRPNYQXDYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-5(2)8-4-7(10-13-8)6(3)9(11)12/h4-6H,1-3H3,(H,11,12).
What are the key properties of 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid?
2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid has a molecular weight of 183.21 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1,2-oxazol-3-yl)propanoic acid is sourced from PubChem (CID 83828593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).