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

C8H13N3O3 — CID 61009517

IUPAC3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ncon1
InChIInChI=1S/C8H13N3O3/c1-2-11(4-3-8(12)13)5-7-9-6-14-10-7/h6H,2-5H2,1H3,(H,12,13)
InChIKeyNPFUTQIFCPDMBG-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.37
Rot. Bonds6

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

3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (PubChem CID 61009517) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
PubChem CID61009517
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ncon1
InChIInChI=1S/C8H13N3O3/c1-2-11(4-3-8(12)13)5-7-9-6-14-10-7/h6H,2-5H2,1H3,(H,12,13)
InChIKeyNPFUTQIFCPDMBG-UHFFFAOYSA-N
XLogP0.37
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (CID 61009517) is 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is CCN(CCC(=O)O)Cc1ncon1.
What is the InChIKey of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The InChIKey is NPFUTQIFCPDMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-2-11(4-3-8(12)13)5-7-9-6-14-10-7/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of 0.37, 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]propanoic acid is sourced from PubChem (CID 61009517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).