4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

C11H16N2O4 — CID 65487758

IUPAC4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCc1noc(NC(=O)CC(C)(C)C(=O)O)c1C
InChIInChI=1S/C11H16N2O4/c1-6-7(2)13-17-9(6)12-8(14)5-11(3,4)10(15)16/h5H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyLTWCPXCRMJYUBP-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.73
Rot. Bonds4

About 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65487758) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65487758
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCc1noc(NC(=O)CC(C)(C)C(=O)O)c1C
InChIInChI=1S/C11H16N2O4/c1-6-7(2)13-17-9(6)12-8(14)5-11(3,4)10(15)16/h5H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyLTWCPXCRMJYUBP-UHFFFAOYSA-N
XLogP1.73
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65487758) is 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is Cc1noc(NC(=O)CC(C)(C)C(=O)O)c1C.
What is the InChIKey of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is LTWCPXCRMJYUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-7(2)13-17-9(6)12-8(14)5-11(3,4)10(15)16/h5H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65487758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).