2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid

C8H10N2O3 — CID 124509489

IUPAC2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESC[C@@H]1C[C@@H]1c1noc(CC(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-4-2-5(4)8-9-6(13-10-8)3-7(11)12/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5+/m1/s1
InChIKeyXMDNGMLPYQXMSR-UHNVWZDZSA-N
MW182.18 g/mol
LogP0.82
Rot. Bonds3

About 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid

2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 124509489) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID124509489
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid
SMILESC[C@@H]1C[C@@H]1c1noc(CC(=O)O)n1
InChIInChI=1S/C8H10N2O3/c1-4-2-5(4)8-9-6(13-10-8)3-7(11)12/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5+/m1/s1
InChIKeyXMDNGMLPYQXMSR-UHNVWZDZSA-N
XLogP0.82
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic 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

Lithium(1+) 1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylate
CID 165979194
Lithium(1+) 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate
CID 177800092
1-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 82413429
2-(3-Tert-butyl-1,2,4-oxadiazol-5-yl)-2,2-difluoroacetic acid
CID 156468889
2-[3-(3,3-Difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 177183261
Methyl 2-[3-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 177183362
1-(5-Methyl-1,2,4-oxadiazol-3-yl)cyclopropane-1-carboxylic acid
CID 82597606
2-(5-Methyl-1,2,4-oxadiazol-3-yl)propanoic acid
CID 10844627
Ethyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate
CID 11116961
Methyl 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)acetate
CID 11499325
2-[5-(Carboxymethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 21312919
2-(3-Ethyl-1,2,4-oxadiazol-5-yl)acetic acid
CID 21312980

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid (CID 124509489) is 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid is C[C@@H]1C[C@@H]1c1noc(CC(=O)O)n1.
What is the InChIKey of 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is XMDNGMLPYQXMSR-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-2-5(4)8-9-6(13-10-8)3-7(11)12/h4-5H,2-3H2,1H3,(H,11,12)/t4-,5+/m1/s1.
What are the key properties of 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1S,2R)-2-methylcyclopropyl]-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 124509489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).