2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid

C10H14N2O4 — CID 61263912

IUPAC2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1noc(C)c1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-7(6(2)16-12-5)8(13)11-10(3,4)9(14)15/h1-4H3,(H,11,13)(H,14,15)
InChIKeyMVDRAAIECNYBIQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.88
Rot. Bonds3

About 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid

2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 61263912) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID61263912
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCc1noc(C)c1C(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-5-7(6(2)16-12-5)8(13)11-10(3,4)9(14)15/h1-4H3,(H,11,13)(H,14,15)
InChIKeyMVDRAAIECNYBIQ-UHFFFAOYSA-N
XLogP0.88
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid (CID 61263912) is 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid is Cc1noc(C)c1C(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is MVDRAAIECNYBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-7(6(2)16-12-5)8(13)11-10(3,4)9(14)15/h1-4H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61263912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).