cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

C8H9N3O4 — CID 106394609

IUPACcis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)NCc1ncon1
InChIInChI=1S/C8H9N3O4/c12-7(4-1-5(4)8(13)14)9-2-6-10-3-15-11-6/h3-5H,1-2H2,(H,9,12)(H,13,14)/t4-,5+/m1/s1
InChIKeyPBGZRWKHTYDTSQ-UHNVWZDZSA-N
MW211.18 g/mol
LogP-0.59
Rot. Bonds4

About cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 106394609) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID106394609
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Namecis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)NCc1ncon1
InChIInChI=1S/C8H9N3O4/c12-7(4-1-5(4)8(13)14)9-2-6-10-3-15-11-6/h3-5H,1-2H2,(H,9,12)(H,13,14)/t4-,5+/m1/s1
InChIKeyPBGZRWKHTYDTSQ-UHNVWZDZSA-N
XLogP-0.59
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 106394609) is cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)NCc1ncon1.
What is the InChIKey of cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is PBGZRWKHTYDTSQ-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-7(4-1-5(4)8(13)14)9-2-6-10-3-15-11-6/h3-5H,1-2H2,(H,9,12)(H,13,14)/t4-,5+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106394609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).