3-azabicyclo[5.1.0]octane-3-carboxylic acid

C8H13NO2 — CID 150365734

IUPAC3-azabicyclo[5.1.0]octane-3-carboxylic acid
SMILESO=C(O)N1CCCC2CC2C1
InChIInChI=1S/C8H13NO2/c10-8(11)9-3-1-2-6-4-7(6)5-9/h6-7H,1-5H2,(H,10,11)
InChIKeyGWRBMLAYFHGWDG-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.40
Rot. Bonds

About 3-azabicyclo[5.1.0]octane-3-carboxylic acid

3-azabicyclo[5.1.0]octane-3-carboxylic acid (PubChem CID 150365734) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-azabicyclo[5.1.0]octane-3-carboxylic acid.

Molecular Properties

Compound Name3-azabicyclo[5.1.0]octane-3-carboxylic acid
PubChem CID150365734
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-azabicyclo[5.1.0]octane-3-carboxylic acid
SMILESO=C(O)N1CCCC2CC2C1
InChIInChI=1S/C8H13NO2/c10-8(11)9-3-1-2-6-4-7(6)5-9/h6-7H,1-5H2,(H,10,11)
InChIKeyGWRBMLAYFHGWDG-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5R)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170429882
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-carbonochloridoylpiperidine-1-carboxylic acid
CID 87707523
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
3-sulfanylpiperidine-1-carboxylic acid
CID 91332404
(4aR,6S,7aS)-6-methylsulfonyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylic acid
CID 141384265
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
8-azabicyclo[4.3.1]decane-8,10-dicarboxylic acid
CID 57429701
(3R)-3-(cyclopentylamino)piperidine-1-carboxylic acid
CID 69317437
4-amino-3-hydroxyazepane-1-carboxylic acid
CID 22036680

Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[5.1.0]octane-3-carboxylic acid?
The IUPAC name of 3-azabicyclo[5.1.0]octane-3-carboxylic acid (CID 150365734) is 3-azabicyclo[5.1.0]octane-3-carboxylic acid.
What is the SMILES notation for 3-azabicyclo[5.1.0]octane-3-carboxylic acid?
The canonical SMILES for 3-azabicyclo[5.1.0]octane-3-carboxylic acid is O=C(O)N1CCCC2CC2C1.
What is the InChIKey of 3-azabicyclo[5.1.0]octane-3-carboxylic acid?
The InChIKey is GWRBMLAYFHGWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-8(11)9-3-1-2-6-4-7(6)5-9/h6-7H,1-5H2,(H,10,11).
What are the key properties of 3-azabicyclo[5.1.0]octane-3-carboxylic acid?
3-azabicyclo[5.1.0]octane-3-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[5.1.0]octane-3-carboxylic acid is sourced from PubChem (CID 150365734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).