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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Related Compounds

N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine
CID 154507388
N-butyl-N-(1,2,4-oxadiazol-5-ylmethyl)butan-1-amine
CID 150039378
2-[1,3-benzoxazol-2-ylmethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425891
2-methyl-2-[methyl(1,2,4-oxadiazol-5-ylmethyl)amino]propanoic acid
CID 62820024
2-[2-(dimethylamino)ethyl-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 107425703
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
2-[2-(dimethylamino)ethyl-(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 107425654
4-[N-(1,2,4-oxadiazol-5-ylmethyl)anilino]butanoic acid
CID 60838258
2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
CID 107425114
2-[2-(dimethylamino)ethyl-[(2,4-dimethylphenyl)methyl]amino]acetic acid
CID 107426131
2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
5-ethyl-1,2,4-oxadiazole
CID 19928681

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).