(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate

C26H26N2O3 — CID 69116729

IUPAC(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate
SMILESO=C(OCC1C2CN(Cc3ccccc3)CC12)C(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H26N2O3/c29-25(26(30,20-11-5-2-6-12-20)24-13-7-8-14-27-24)31-18-23-21-16-28(17-22(21)23)15-19-9-3-1-4-10-19/h1-14,21-23,30H,15-18H2
InChIKeyFZNYVHFDWVEWMF-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.24
Rot. Bonds7

About (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate

(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate (PubChem CID 69116729) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate.

Molecular Properties

Compound Name(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate
PubChem CID69116729
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate
SMILESO=C(OCC1C2CN(Cc3ccccc3)CC12)C(O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C26H26N2O3/c29-25(26(30,20-11-5-2-6-12-20)24-13-7-8-14-27-24)31-18-23-21-16-28(17-22(21)23)15-19-9-3-1-4-10-19/h1-14,21-23,30H,15-18H2
InChIKeyFZNYVHFDWVEWMF-UHFFFAOYSA-N
XLogP3.24
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate with MolForge

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Launch Full Analysis

Related Compounds

[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 16718273
N-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl]-2-hydroxy-2-(4-methylphenyl)-2-phenylacetamide
CID 11487138
3-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2,2-diphenylpropanoic acid;hydrochloride
CID 25120361
[(1R,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanamine
CID 98160357
[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl 9H-xanthen-9-yl carbonate
CID 69147680
2-[6-[(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methoxy]-3-pyridinyl]-2-oxoacetaldehyde
CID 140634241
(3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-hydroxy-2-(4-methylphenyl)-2-phenylacetate
CID 25032027
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol;hydrochloride
CID 89440832
tert-butyl N-[(3R,4S)-1-benzyl-4-pyridin-2-ylpyrrolidin-3-yl]carbamate
CID 66693801
N-[[(5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-2-hydroxy-3-methyl-2-phenylbutanamide
CID 69437634
[(1S,5R)-3-(3-methylbut-2-enyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 16718162
N-[(5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 68905775

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate?
The IUPAC name of (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate (CID 69116729) is (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate.
What is the SMILES notation for (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate?
The canonical SMILES for (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate is O=C(OCC1C2CN(Cc3ccccc3)CC12)C(O)(c1ccccc1)c1ccccn1.
What is the InChIKey of (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate?
The InChIKey is FZNYVHFDWVEWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(26(30,20-11-5-2-6-12-20)24-13-7-8-14-27-24)31-18-23-21-16-28(17-22(21)23)15-19-9-3-1-4-10-19/h1-14,21-23,30H,15-18H2.
What are the key properties of (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate?
(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate has a molecular weight of 414.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl 2-hydroxy-2-phenyl-2-pyridin-2-ylacetate is sourced from PubChem (CID 69116729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).