trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid

C7H8N2O3 — CID 93311578

IUPACtrans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1noc([C@@H]2C[C@H]2C(=O)O)n1
InChIInChI=1S/C7H8N2O3/c1-3-8-6(12-9-3)4-2-5(4)7(10)11/h4-5H,2H2,1H3,(H,10,11)/t4-,5-/m1/s1
InChIKeyBLKPQCXYKGDXBI-RFZPGFLSSA-N
MW168.15 g/mol
LogP0.57
Rot. Bonds2

About trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (PubChem CID 93311578) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
PubChem CID93311578
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Nametrans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
SMILESCc1noc([C@@H]2C[C@H]2C(=O)O)n1
InChIInChI=1S/C7H8N2O3/c1-3-8-6(12-9-3)4-2-5(4)7(10)11/h4-5H,2H2,1H3,(H,10,11)/t4-,5-/m1/s1
InChIKeyBLKPQCXYKGDXBI-RFZPGFLSSA-N
XLogP0.57
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid (CID 93311578) is trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is Cc1noc([C@@H]2C[C@H]2C(=O)O)n1.
What is the InChIKey of trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
The InChIKey is BLKPQCXYKGDXBI-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-3-8-6(12-9-3)4-2-5(4)7(10)11/h4-5H,2H2,1H3,(H,10,11)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93311578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).