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

C8H13N3O3 — CID 43442230

IUPAC2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
SMILESCCc1noc(CN(C)CC(=O)O)n1
InChIInChI=1S/C8H13N3O3/c1-3-6-9-7(14-10-6)4-11(2)5-8(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyOVYCCDVPLWDOMV-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.15
Rot. Bonds5

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

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid (PubChem CID 43442230) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
PubChem CID43442230
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
SMILESCCc1noc(CN(C)CC(=O)O)n1
InChIInChI=1S/C8H13N3O3/c1-3-6-9-7(14-10-6)4-11(2)5-8(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyOVYCCDVPLWDOMV-UHFFFAOYSA-N
XLogP0.15
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetamide
CID 86919203
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
[3-[[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]methyl]oxetan-3-yl]methanol
CID 111976726
2-[3-chloro-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]anilino]acetic acid
CID 60834804
2-[methyl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
CID 47020617
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
1-cyclopropyl-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]ethanol
CID 111858607
2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 60834394
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 62022852
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetic acid
CID 54899106

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid (CID 43442230) is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid is CCc1noc(CN(C)CC(=O)O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
The InChIKey is OVYCCDVPLWDOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-6-9-7(14-10-6)4-11(2)5-8(12)13/h3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 43442230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).