3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

C12H19NO2 — CID 164660825

IUPAC3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCC1(CN2CC3CC3(C(=O)O)C2)CCC1
InChIInChI=1S/C12H19NO2/c1-11(3-2-4-11)7-13-6-9-5-12(9,8-13)10(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJECVEEDMEWVXND-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.58
Rot. Bonds3

About 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 164660825) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID164660825
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCC1(CN2CC3CC3(C(=O)O)C2)CCC1
InChIInChI=1S/C12H19NO2/c1-11(3-2-4-11)7-13-6-9-5-12(9,8-13)10(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeyJECVEEDMEWVXND-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-methylcyclobutyl)methyl]azetidine-3-carboxylic acid
CID 130601346
(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 155822282
(3aS,6aR)-2-[(2-methylcyclopropyl)methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045067
(3aS,6aR)-2-(3,3-dimethylbutyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045045
(3aS,6aR)-2-(cyclopentylmethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680123
3-(dimethylsulfamoyl)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 164647132
(3R,5S)-3,5-dimethyl-1-[(1-methylcyclobutyl)methyl]piperazine
CID 130956949
(3aS,6aR)-2-(3-propan-2-yloxypropyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120679907
(3aS,6aR)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120679946
(3aS,6aR)-2-(3,3-dimethylpentyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680983
(3aS,6aR)-2-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680249
(1S,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 167994280

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 164660825) is 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is CC1(CN2CC3CC3(C(=O)O)C2)CCC1.
What is the InChIKey of 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is JECVEEDMEWVXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(3-2-4-11)7-13-6-9-5-12(9,8-13)10(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 209.29 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclobutyl)methyl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 164660825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).