methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride

C7H12ClNO2 — CID 140675446

IUPACmethyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]12CNCC1C2.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-6(9)7-2-5(7)3-8-4-7;/h5,8H,2-4H2,1H3;1H/t5?,7-;/m0./s1
InChIKeyIZYNHGVKCYWCAW-CRSWKAPQSA-N
MW177.63 g/mol
LogP0.19
Rot. Bonds1

About methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride

methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride (PubChem CID 140675446) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
PubChem CID140675446
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Namemethyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]12CNCC1C2.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-10-6(9)7-2-5(7)3-8-4-7;/h5,8H,2-4H2,1H3;1H/t5?,7-;/m0./s1
InChIKeyIZYNHGVKCYWCAW-CRSWKAPQSA-N
XLogP0.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 118108637
methyl (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole-3a-carboxylate
CID 167739534
methyl (1S,5S,8R)-8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylate
CID 130985038
dimethyl (1R,3R,5R,7R)-tricyclo[3.3.0.03,7]octane-1,3-dicarboxylate
CID 102319809
1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane
CID 143400629
methyl (3S,7R)-3,7-dimethyltricyclo[3.3.0.03,7]octane-1-carboxylate
CID 10987140
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
CID 124547745
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
methyl 3-methyl-3-azabicyclo[3.1.0]hexane-1-carboxylate
CID 171090149
1-[(1R,6S)-3-azabicyclo[4.1.0]heptan-6-yl]ethanone
CID 118681176

Frequently Asked Questions

What is the IUPAC name of methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
The IUPAC name of methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride (CID 140675446) is methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride is COC(=O)[C@@]12CNCC1C2.Cl.
What is the InChIKey of methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
The InChIKey is IZYNHGVKCYWCAW-CRSWKAPQSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-10-6(9)7-2-5(7)3-8-4-7;/h5,8H,2-4H2,1H3;1H/t5?,7-;/m0./s1.
What are the key properties of methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride?
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 140675446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).