(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride

C6H10ClNO2 — CID 118108637

IUPAC(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@]12CNCC1C2
InChIInChI=1S/C6H9NO2.ClH/c8-5(9)6-1-4(6)2-7-3-6;/h4,7H,1-3H2,(H,8,9);1H/t4?,6-;/m0./s1
InChIKeyIQNGIDOFRBBFGV-HUBWGQNGSA-N
MW163.60 g/mol
LogP0.10
Rot. Bonds1

About (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride

(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride (PubChem CID 118108637) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
PubChem CID118108637
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@]12CNCC1C2
InChIInChI=1S/C6H9NO2.ClH/c8-5(9)6-1-4(6)2-7-3-6;/h4,7H,1-3H2,(H,8,9);1H/t4?,6-;/m0./s1
InChIKeyIQNGIDOFRBBFGV-HUBWGQNGSA-N
XLogP0.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6R)-3-azabicyclo[4.1.0]heptane-1-carboxylic acid;hydrochloride
CID 71756356
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
1-[(E)-but-2-en-2-yl]-3-azabicyclo[3.1.0]hexane
CID 143400629
8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 130002685
1-[(1R,6S)-3-azabicyclo[4.1.0]heptan-6-yl]ethanone
CID 118681176
methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-3a-ol;dihydrochloride
CID 170913208
1-[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]propan-1-one;tert-butyl (1S,5S)-1-propanoyl-3-azabicyclo[3.1.0]hexane-3-carboxylate;hydrochloride
CID 163536346
(3aS,6aS)-2,2-dioxo-1,3,4,5,6,6a-hexahydrothieno[3,4-c]pyrrole-3a-carboxamide
CID 178190689
[(1S,5S)-3-azabicyclo[3.1.0]hexan-1-yl]-(4-fluoro-2,3-dihydroindol-1-yl)methanone
CID 155963838
3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
CID 115031189
(3aS,6aS)-5-(benzenesulfonylcarbamoyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 46991228

Frequently Asked Questions

What is the IUPAC name of (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride?
The IUPAC name of (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride (CID 118108637) is (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@]12CNCC1C2.
What is the InChIKey of (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride?
The InChIKey is IQNGIDOFRBBFGV-HUBWGQNGSA-N. The full InChI is InChI=1S/C6H9NO2.ClH/c8-5(9)6-1-4(6)2-7-3-6;/h4,7H,1-3H2,(H,8,9);1H/t4?,6-;/m0./s1.
What are the key properties of (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride?
(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride has a molecular weight of 163.60 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 118108637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).