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

C7H11N3O3 — CID 60987332

IUPAC3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ncon1
InChIInChI=1S/C7H11N3O3/c1-10(3-2-7(11)12)4-6-8-5-13-9-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyOEBXCFOKGGJSHL-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.02
Rot. Bonds5

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

3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (PubChem CID 60987332) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
PubChem CID60987332
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ncon1
InChIInChI=1S/C7H11N3O3/c1-10(3-2-7(11)12)4-6-8-5-13-9-6/h5H,2-4H2,1H3,(H,11,12)
InChIKeyOEBXCFOKGGJSHL-UHFFFAOYSA-N
XLogP-0.02
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,3-Trifluoro-2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]propanoic acid
CID 106401744
2,2-Difluoro-3-{[(1,2,4-oxadiazol-3-yl)methyl]amino}propanoic acid
CID 165789001
1,2,4-Oxadiazole-3-acetic acid
CID 22315337
2-(1,2,4-Oxadiazol-3-yl)propanoic acid
CID 145669557
2-[Methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43442236
3-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43466754
3-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 43522479
Methyl 4-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoate
CID 55208401
4-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]butanoic acid
CID 60832989
2-[Butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60833259
3-[Tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
CID 60833660
2-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid
CID 60839968

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (CID 60987332) is 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is CN(CCC(=O)O)Cc1ncon1.
What is the InChIKey of 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The InChIKey is OEBXCFOKGGJSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-10(3-2-7(11)12)4-6-8-5-13-9-6/h5H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid has a molecular weight of 185.18 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 60987332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).