(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

C8H13NO2 — CID 175884056

IUPAC(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCC1(C)[C@@H]2CNC[C@@]21C(=O)O
InChIInChI=1S/C8H13NO2/c1-7(2)5-3-9-4-8(5,7)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11)/t5-,8-/m0/s1
InChIKeyKJFXAGXVKWKPPF-XNCJUZBTSA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds1

About (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (PubChem CID 175884056) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
PubChem CID175884056
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
SMILESCC1(C)[C@@H]2CNC[C@@]21C(=O)O
InChIInChI=1S/C8H13NO2/c1-7(2)5-3-9-4-8(5,7)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11)/t5-,8-/m0/s1
InChIKeyKJFXAGXVKWKPPF-XNCJUZBTSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6S)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129321000
7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
CID 121207590
(1S,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129320998
[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
CID 146268670
2,2-dimethyl-6-azaspiro[3.4]octane-8-carboxylic acid
CID 131143190
(1R)-3-azabicyclo[3.1.0]hexane-1-carboxylic acid;hydrochloride
CID 118108637
8-hydroxy-3-azabicyclo[3.2.1]octane-1-carboxylic acid
CID 130002685
(3S,4S)-4-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 96868579
2-[(5S,6S)-1-methyl-3-azabicyclo[3.1.0]hexan-6-yl]acetic acid
CID 156540404
1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone
CID 22906914
azane;azetidine-3,3-dicarboxylic acid;platinum
CID 170540067
acetic acid;cobalt;molybdenum
CID 174687861

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The IUPAC name of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid (CID 175884056) is (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid.
What is the SMILES notation for (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The canonical SMILES for (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is CC1(C)[C@@H]2CNC[C@@]21C(=O)O.
What is the InChIKey of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
The InChIKey is KJFXAGXVKWKPPF-XNCJUZBTSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)5-3-9-4-8(5,7)6(10)11/h5,9H,3-4H2,1-2H3,(H,10,11)/t5-,8-/m0/s1.
What are the key properties of (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid?
(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid is sourced from PubChem (CID 175884056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).