2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid

C9H16N4O3 — CID 107425110

IUPAC2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)Cc1ncno1
InChIInChI=1S/C9H16N4O3/c1-12(2)3-4-13(6-9(14)15)5-8-10-7-11-16-8/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyWKJVQRQAMRGNKQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.48
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid (PubChem CID 107425110) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid
PubChem CID107425110
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)Cc1ncno1
InChIInChI=1S/C9H16N4O3/c1-12(2)3-4-13(6-9(14)15)5-8-10-7-11-16-8/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyWKJVQRQAMRGNKQ-UHFFFAOYSA-N
XLogP-0.48
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid (CID 107425110) is 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid is CN(C)CCN(CC(=O)O)Cc1ncno1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid?
The InChIKey is WKJVQRQAMRGNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-12(2)3-4-13(6-9(14)15)5-8-10-7-11-16-8/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(1,2,4-oxadiazol-5-ylmethyl)amino]acetic acid is sourced from PubChem (CID 107425110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).