3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

C10H15NO2 — CID 105439475

IUPAC3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)C1C2CC2CN1C1CCC1
InChIInChI=1S/C10H15NO2/c12-10(13)9-8-4-6(8)5-11(9)7-2-1-3-7/h6-9H,1-5H2,(H,12,13)
InChIKeyVAQZDMKXTZFWMW-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.94
Rot. Bonds2

About 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 105439475) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID105439475
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)C1C2CC2CN1C1CCC1
InChIInChI=1S/C10H15NO2/c12-10(13)9-8-4-6(8)5-11(9)7-2-1-3-7/h6-9H,1-5H2,(H,12,13)
InChIKeyVAQZDMKXTZFWMW-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylcyclobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 103565256
3-cyclopentyl-3-azabicyclo[3.1.1]heptane-2-carboxylic acid
CID 105463214
2-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895949
2-(1,1-dioxothiolan-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895452
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid
CID 146225287
2-(2-propan-2-yloxan-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895763
2-(2,3-dimethylcyclohexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895767
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
(2S,4R)-1-cyclohexyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 67775431
(1R,2R,6S)-bicyclo[4.1.0]heptane-2-carboxylic acid
CID 14143356
(1S,2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 122533004
1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
CID 107072534

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CID 105439475) is 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is O=C(O)C1C2CC2CN1C1CCC1.
What is the InChIKey of 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is VAQZDMKXTZFWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(13)9-8-4-6(8)5-11(9)7-2-1-3-7/h6-9H,1-5H2,(H,12,13).
What are the key properties of 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 181.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 105439475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).