(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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Related Compounds

3-acetyl-3-azabicyclo[3.1.0]hexane-6-carbonitrile
CID 141105153
tert-butyl 6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 59529950
tert-butyl (1R,5R)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 124527489
6-(2-cyanoacetyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 90285471
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
3-(1-cyanoethyl)azetidine-1-carboxylic acid
CID 175336412
(1R,5S)-6-[2-(4-bromophenyl)ethynyl]-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166757130
2-(2-cyanophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylic acid
CID 134499580
(1R,5S)-6-carbamothioyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 129052499
(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
(3S)-3,5-dimethylpiperazine-1-carboxylic acid
CID 175425054

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).