1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

C7H8N2O2 — CID 151585487

IUPAC1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESN#CC12CC1CN(C(=O)O)C2
InChIInChI=1S/C7H8N2O2/c8-3-7-1-5(7)2-9(4-7)6(10)11/h5H,1-2,4H2,(H,10,11)
InChIKeyQHKALYUDVOEGMO-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.51
Rot. Bonds

About 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid

1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 151585487) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

Compound Name1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
PubChem CID151585487
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
SMILESN#CC12CC1CN(C(=O)O)C2
InChIInChI=1S/C7H8N2O2/c8-3-7-1-5(7)2-9(4-7)6(10)11/h5H,1-2,4H2,(H,10,11)
InChIKeyQHKALYUDVOEGMO-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyano-5-cyclopentyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 123822048
3-tert-butyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 134166341
(1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170163550
(3aS,6aR)-3a-(aminomethyl)-5-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 68723846
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 67971596
3-[5-ethylsulfinyl-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxybenzoyl]-3-azabicyclo[3.1.0]hexane-1-carbonitrile
CID 126698754
5-carbonochloridoyl-3a-methoxy-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxylic acid
CID 135238426
(3R,4S)-3,4-dimethoxypyrrolidine-1-carboxylic acid
CID 20745982
1-(1-acetylpiperidin-4-yl)cyclopropane-1-carbonitrile
CID 126758785
(3aR,6aS)-5-(aminomethyl)-5-fluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxylic acid
CID 67605956
1-(4-tert-butylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 166708569

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The IUPAC name of 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 151585487) is 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid.
What is the SMILES notation for 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The canonical SMILES for 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is N#CC12CC1CN(C(=O)O)C2.
What is the InChIKey of 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
The InChIKey is QHKALYUDVOEGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-3-7-1-5(7)2-9(4-7)6(10)11/h5H,1-2,4H2,(H,10,11).
What are the key properties of 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid?
1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 151585487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).