2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid

C10H17N3O3 — CID 43442663

IUPAC2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid
SMILESCC(C)Cc1nc(CN(C)CC(=O)O)no1
InChIInChI=1S/C10H17N3O3/c1-7(2)4-9-11-8(12-16-9)5-13(3)6-10(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyBZYYRHREOGYQID-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.78
Rot. Bonds6

About 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid

2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid (PubChem CID 43442663) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid
PubChem CID43442663
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid
SMILESCC(C)Cc1nc(CN(C)CC(=O)O)no1
InChIInChI=1S/C10H17N3O3/c1-7(2)4-9-11-8(12-16-9)5-13(3)6-10(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyBZYYRHREOGYQID-UHFFFAOYSA-N
XLogP0.78
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid (CID 43442663) is 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid is CC(C)Cc1nc(CN(C)CC(=O)O)no1.
What is the InChIKey of 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid?
The InChIKey is BZYYRHREOGYQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(2)4-9-11-8(12-16-9)5-13(3)6-10(14)15/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid?
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid is sourced from PubChem (CID 43442663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).