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

C9H15N3O3 — CID 43465725

IUPAC2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
SMILESCC(C)Cc1noc(CNCC(=O)O)n1
InChIInChI=1S/C9H15N3O3/c1-6(2)3-7-11-8(15-12-7)4-10-5-9(13)14/h6,10H,3-5H2,1-2H3,(H,13,14)
InChIKeyJXCWTBFODZTVIM-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.44
Rot. Bonds6

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

2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid (PubChem CID 43465725) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
PubChem CID43465725
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid
SMILESCC(C)Cc1noc(CNCC(=O)O)n1
InChIInChI=1S/C9H15N3O3/c1-6(2)3-7-11-8(15-12-7)4-10-5-9(13)14/h6,10H,3-5H2,1-2H3,(H,13,14)
InChIKeyJXCWTBFODZTVIM-UHFFFAOYSA-N
XLogP0.44
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The IUPAC name of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid (CID 43465725) is 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid is CC(C)Cc1noc(CNCC(=O)O)n1.
What is the InChIKey of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
The InChIKey is JXCWTBFODZTVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6(2)3-7-11-8(15-12-7)4-10-5-9(13)14/h6,10H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid?
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid has a molecular weight of 213.24 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]acetic acid is sourced from PubChem (CID 43465725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).