(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride

C11H20ClNO3 — CID 20522323

IUPAC(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride
SMILESCN1C2CCC1C(OC(=O)C(C)(C)O)C2.Cl
InChIInChI=1S/C11H19NO3.ClH/c1-11(2,14)10(13)15-9-6-7-4-5-8(9)12(7)3;/h7-9,14H,4-6H2,1-3H3;1H
InChIKeyRLILDWSPGWMKEI-UHFFFAOYSA-N
MW249.74 g/mol
LogP0.96
Rot. Bonds2

About (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride

(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride (PubChem CID 20522323) has the molecular formula C11H20ClNO3 and a molecular weight of 249.74 g/mol. Its IUPAC name is (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Name(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride
PubChem CID20522323
Molecular FormulaC11H20ClNO3
Molecular Weight249.74 g/mol
Exact Mass249.11
IUPAC Name(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride
SMILESCN1C2CCC1C(OC(=O)C(C)(C)O)C2.Cl
InChIInChI=1S/C11H19NO3.ClH/c1-11(2,14)10(13)15-9-6-7-4-5-8(9)12(7)3;/h7-9,14H,4-6H2,1-3H3;1H
InChIKeyRLILDWSPGWMKEI-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-7-methyl-7-azabicyclo[2.2.1]heptan-2-yl] (2R)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 66712620
CID 58107216
CID 58107216
[(1S,2S,3S,5R)-2-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 121007283
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,2-dimethylpropanoate
CID 78092709
[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-chloro-2,2-diphenylacetate;hydrochloride
CID 3071152
methyl (1S,2R,3S,5R)-3-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10354317
7-methyl-7-azabicyclo[2.2.1]heptan-2-ol;hydrochloride
CID 20522308
(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) (2S)-3-methylsulfonyl-2-phenylpropanoate
CID 57362215
[(1R,2R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 90679467
[(1S,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] (2S)-2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 3049102
[(1R,2R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] (2R)-2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
CID 131882694
[(1R,3R,5R,6S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] acetate
CID 124928936

Frequently Asked Questions

What is the IUPAC name of (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride?
The IUPAC name of (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride (CID 20522323) is (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride.
What is the SMILES notation for (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride?
The canonical SMILES for (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride is CN1C2CCC1C(OC(=O)C(C)(C)O)C2.Cl.
What is the InChIKey of (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride?
The InChIKey is RLILDWSPGWMKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3.ClH/c1-11(2,14)10(13)15-9-6-7-4-5-8(9)12(7)3;/h7-9,14H,4-6H2,1-3H3;1H.
What are the key properties of (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride?
(7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-7-azabicyclo[2.2.1]heptan-2-yl) 2-hydroxy-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 20522323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).