3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid

C9H15N3O3 — CID 62825864

IUPAC3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid
SMILESCCN(Cc1ncon1)C(C)CC(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-12(7(2)4-9(13)14)5-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyJSNKUBQKWYBHMY-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.75
Rot. Bonds6

About 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid

3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid (PubChem CID 62825864) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid
PubChem CID62825864
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid
SMILESCCN(Cc1ncon1)C(C)CC(=O)O
InChIInChI=1S/C9H15N3O3/c1-3-12(7(2)4-9(13)14)5-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyJSNKUBQKWYBHMY-UHFFFAOYSA-N
XLogP0.75
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
CID 106399040
3-[ethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62828358
3-[ethyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]butanoic acid
CID 62825872
3-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]butanoic acid
CID 62827804
3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]butanoic acid
CID 65060707
2-[1,2,4-oxadiazol-3-ylmethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106403446
3-[ethyl-[(2-hydroxyphenyl)methyl]amino]butanoic acid
CID 65060655
3-[(2-ethoxyphenyl)methyl-ethylamino]butanoic acid
CID 55122799
3-[(1,5-dimethylpyrazol-4-yl)methyl-ethylamino]butanoic acid
CID 79595998
2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
3-[ethyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]butanoic acid
CID 62828179

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid (CID 62825864) is 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid is CCN(Cc1ncon1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid?
The InChIKey is JSNKUBQKWYBHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-3-12(7(2)4-9(13)14)5-8-10-6-15-11-8/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid?
3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 62825864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).