3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid

C8H11N3O3 — CID 83831304

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid
SMILESO=C(O)CCNc1nc(C2CC2)no1
InChIInChI=1S/C8H11N3O3/c12-6(13)3-4-9-8-10-7(11-14-8)5-1-2-5/h5H,1-4H2,(H,12,13)(H,9,10,11)
InChIKeyUQBPJNCTUGYLOD-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.83
Rot. Bonds5

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid (PubChem CID 83831304) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid
PubChem CID83831304
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid
SMILESO=C(O)CCNc1nc(C2CC2)no1
InChIInChI=1S/C8H11N3O3/c12-6(13)3-4-9-8-10-7(11-14-8)5-1-2-5/h5H,1-4H2,(H,12,13)(H,9,10,11)
InChIKeyUQBPJNCTUGYLOD-UHFFFAOYSA-N
XLogP0.83
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
CID 83827051
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]-N-(6-methyl-2-pyridinyl)propanamide
CID 75399679
N-(2-methylpropyl)-3-(oxan-4-yl)-1,2,4-oxadiazol-5-amine
CID 65334460
3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
CID 64985459
3-cyclopropyl-N-[(1-methylcyclopropyl)methyl]-1,2,4-oxadiazol-5-amine
CID 131005374
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
N,3-dicyclopropyl-1,2,4-oxadiazol-5-amine
CID 62594867
3-[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 122004494
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]acetic acid
CID 56766304
3-(3-ethylcyclopentyl)-N-(2-methoxyethyl)-1,2,4-oxadiazol-5-amine
CID 65403682

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid (CID 83831304) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid is O=C(O)CCNc1nc(C2CC2)no1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid?
The InChIKey is UQBPJNCTUGYLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-6(13)3-4-9-8-10-7(11-14-8)5-1-2-5/h5H,1-4H2,(H,12,13)(H,9,10,11).
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 83831304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).