3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid

C13H20N2O4 — CID 110836550

IUPAC3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N(C)C(C)CC(=O)O)noc1C(C)C
InChIInChI=1S/C13H20N2O4/c1-7(2)12-9(4)11(14-19-12)13(18)15(5)8(3)6-10(16)17/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyNWRSDLYFGYGSKX-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.04
Rot. Bonds5

About 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid

3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 110836550) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID110836550
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCc1c(C(=O)N(C)C(C)CC(=O)O)noc1C(C)C
InChIInChI=1S/C13H20N2O4/c1-7(2)12-9(4)11(14-19-12)13(18)15(5)8(3)6-10(16)17/h7-8H,6H2,1-5H3,(H,16,17)
InChIKeyNWRSDLYFGYGSKX-UHFFFAOYSA-N
XLogP2.04
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 110836550) is 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid is Cc1c(C(=O)N(C)C(C)CC(=O)O)noc1C(C)C.
What is the InChIKey of 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is NWRSDLYFGYGSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-7(2)12-9(4)11(14-19-12)13(18)15(5)8(3)6-10(16)17/h7-8H,6H2,1-5H3,(H,16,17).
What are the key properties of 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methyl-5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).