5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid

C8H11N3O3 — CID 112632024

IUPAC5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(N)(c1nc(C(=O)O)no1)C1CC1
InChIInChI=1S/C8H11N3O3/c1-8(9,4-2-3-4)7-10-5(6(12)13)11-14-7/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyLDIGRYKLTUOCNV-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.35
Rot. Bonds3

About 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112632024) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112632024
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(N)(c1nc(C(=O)O)no1)C1CC1
InChIInChI=1S/C8H11N3O3/c1-8(9,4-2-3-4)7-10-5(6(12)13)11-14-7/h4H,2-3,9H2,1H3,(H,12,13)
InChIKeyLDIGRYKLTUOCNV-UHFFFAOYSA-N
XLogP0.35
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-amino-1-cyclopropylethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791358
5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 19786334
sodium 5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid
CID 169410143
potassium;5-tert-butyl-1,2,4-oxadiazole-3-carboxylic acid;hydride
CID 175462514
1-cyclopropyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667684
5-(1-amino-2-methylbutan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631791
1-cyclopropyl-1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 107925091
1-cyclopropyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669476
1-cyclopropyl-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667280
5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 130600729
1-cyclopropyl-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64669679
1-cyclopropyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667686

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112632024) is 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid is CC(N)(c1nc(C(=O)O)no1)C1CC1.
What is the InChIKey of 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LDIGRYKLTUOCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-8(9,4-2-3-4)7-10-5(6(12)13)11-14-7/h4H,2-3,9H2,1H3,(H,12,13).
What are the key properties of 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-1-cyclopropylethyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112632024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).