(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C7H8N2O2 — CID 67971596

IUPAC(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESN#CC1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C7H8N2O2/c8-1-4-5-2-9(7(10)11)3-6(4)5/h4-6H,2-3H2,(H,10,11)/t4?,5-,6+
InChIKeyFGSARSXCGZVWQH-GOHHTPAQSA-N
MW152.15 g/mol
LogP0.37
Rot. Bonds

About (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 67971596) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID67971596
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESN#CC1[C@H]2CN(C(=O)O)C[C@@H]12
InChIInChI=1S/C7H8N2O2/c8-1-4-5-2-9(7(10)11)3-6(4)5/h4-6H,2-3H2,(H,10,11)/t4?,5-,6+
InChIKeyFGSARSXCGZVWQH-GOHHTPAQSA-N
XLogP0.37
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 67971596) is (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is N#CC1[C@H]2CN(C(=O)O)C[C@@H]12.
What is the InChIKey of (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is FGSARSXCGZVWQH-GOHHTPAQSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-1-4-5-2-9(7(10)11)3-6(4)5/h4-6H,2-3H2,(H,10,11)/t4?,5-,6+.
What are the key properties of (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 67971596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).