2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid

C12H21N3O3 — CID 55123359

IUPAC2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1nnc(C(C)(C)C)o1)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O3/c1-11(2,3)9-14-13-8(18-9)7-15(6)12(4,5)10(16)17/h7H2,1-6H3,(H,16,17)
InChIKeyJUVWTAXNCHPMQY-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.66
Rot. Bonds4

About 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid

2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid (PubChem CID 55123359) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid
PubChem CID55123359
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1nnc(C(C)(C)C)o1)C(C)(C)C(=O)O
InChIInChI=1S/C12H21N3O3/c1-11(2,3)9-14-13-8(18-9)7-15(6)12(4,5)10(16)17/h7H2,1-6H3,(H,16,17)
InChIKeyJUVWTAXNCHPMQY-UHFFFAOYSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid (CID 55123359) is 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid is CN(Cc1nnc(C(C)(C)C)o1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is JUVWTAXNCHPMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-11(2,3)9-14-13-8(18-9)7-15(6)12(4,5)10(16)17/h7H2,1-6H3,(H,16,17).
What are the key properties of 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid?
2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 255.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55123359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).