3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid

C7H11N3O3 — CID 106399040

IUPAC3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
SMILESCC(CC(=O)O)NCc1ncon1
InChIInChI=1S/C7H11N3O3/c1-5(2-7(11)12)8-3-6-9-4-13-10-6/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyJMOCUXCGBRBKRW-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.02
Rot. Bonds5

About 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid

3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid (PubChem CID 106399040) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
PubChem CID106399040
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid
SMILESCC(CC(=O)O)NCc1ncon1
InChIInChI=1S/C7H11N3O3/c1-5(2-7(11)12)8-3-6-9-4-13-10-6/h4-5,8H,2-3H2,1H3,(H,11,12)
InChIKeyJMOCUXCGBRBKRW-UHFFFAOYSA-N
XLogP0.02
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 43467351
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252
N-(1,2,4-oxadiazol-3-ylmethyl)-1-phenylpropan-2-amine
CID 106392652
2-methyl-3-(1,2,4-oxadiazol-3-ylmethylamino)propanoic acid
CID 106398580
3-amino-N-(1,2,4-oxadiazol-3-ylmethyl)butanamide
CID 106396857
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]butanoate
CID 106400593
2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106395520
3-[ethyl(1,2,4-oxadiazol-3-ylmethyl)amino]butanoic acid
CID 62825864
2-[1,2,4-oxadiazol-3-ylmethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 106403446
1-cyclopropyl-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393050
N-(2-methoxyethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)propanamide
CID 106399027
ethyl 2-(1,2,4-oxadiazol-3-ylmethylamino)butanoate
CID 106399325

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid (CID 106399040) is 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid is CC(CC(=O)O)NCc1ncon1.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
The InChIKey is JMOCUXCGBRBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-5(2-7(11)12)8-3-6-9-4-13-10-6/h4-5,8H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid?
3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-ylmethylamino)butanoic acid is sourced from PubChem (CID 106399040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).