3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid

C12H20N2O3 — CID 82318093

IUPAC3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid
SMILESCCCCN(CC(C)C(=O)O)c1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-4-5-6-14(8-9(2)12(15)16)11-7-10(3)17-13-11/h7,9H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyLUSJHHAVIMGGPW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.31
Rot. Bonds7

About 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid

3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid (PubChem CID 82318093) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid
PubChem CID82318093
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid
SMILESCCCCN(CC(C)C(=O)O)c1cc(C)on1
InChIInChI=1S/C12H20N2O3/c1-4-5-6-14(8-9(2)12(15)16)11-7-10(3)17-13-11/h7,9H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyLUSJHHAVIMGGPW-UHFFFAOYSA-N
XLogP2.31
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid (CID 82318093) is 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid is CCCCN(CC(C)C(=O)O)c1cc(C)on1.
What is the InChIKey of 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
The InChIKey is LUSJHHAVIMGGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-5-6-14(8-9(2)12(15)16)11-7-10(3)17-13-11/h7,9H,4-6,8H2,1-3H3,(H,15,16).
What are the key properties of 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid?
3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid has a molecular weight of 240.30 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82318093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).