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

C8H13N3O3 — CID 43442235

IUPAC2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid
SMILESCCc1nnc(CN(C)CC(=O)O)o1
InChIInChI=1S/C8H13N3O3/c1-3-6-9-10-7(14-6)4-11(2)5-8(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyMPEOMNNGLZXJCO-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.15
Rot. Bonds5

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

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid (PubChem CID 43442235) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid
PubChem CID43442235
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid
SMILESCCc1nnc(CN(C)CC(=O)O)o1
InChIInChI=1S/C8H13N3O3/c1-3-6-9-10-7(14-6)4-11(2)5-8(12)13/h3-5H2,1-2H3,(H,12,13)
InChIKeyMPEOMNNGLZXJCO-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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid (CID 43442235) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid is CCc1nnc(CN(C)CC(=O)O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid?
The InChIKey is MPEOMNNGLZXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-3-6-9-10-7(14-6)4-11(2)5-8(12)13/h3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid?
2-[(5-ethyl-1,3,4-oxadiazol-2-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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 43442235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).