ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate

C17H23NO2 — CID 175923548

IUPACethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate
SMILESCCOC(=O)[C@H](C)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12
InChIInChI=1S/C17H23NO2/c1-3-20-17(19)12(2)16-14-10-18(11-15(14)16)9-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12-,14-,15+,16?/m1/s1
InChIKeyNFFPLGIDLUYWFY-SLHHOWHOSA-N
MW273.38 g/mol
LogP2.56
Rot. Bonds5

About ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate

ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate (PubChem CID 175923548) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate
PubChem CID175923548
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Nameethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate
SMILESCCOC(=O)[C@H](C)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12
InChIInChI=1S/C17H23NO2/c1-3-20-17(19)12(2)16-14-10-18(11-15(14)16)9-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12-,14-,15+,16?/m1/s1
InChIKeyNFFPLGIDLUYWFY-SLHHOWHOSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate with MolForge

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Related Compounds

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1-(1-benzylazetidin-3-yl)-2-methylbutan-1-one
CID 170701764
(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl) propanoate
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ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
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CID 155095649
ethyl (2S)-2-[(2R,3S)-1-benzyl-3-fluoropyrrolidin-2-yl]propanoate
CID 101156135
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
diethyl 2-[(1-benzylpiperidin-3-yl)methyl]propanedioate
CID 2780386
ethyl 1-benzyl-4-octylpyrrolidine-3-carboxylate
CID 118368119
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656
ethyl 1-benzyl-5-methoxy-4-oxopiperidine-3-carboxylate
CID 59314770

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate (CID 175923548) is ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate is CCOC(=O)[C@H](C)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12.
What is the InChIKey of ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate?
The InChIKey is NFFPLGIDLUYWFY-SLHHOWHOSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-20-17(19)12(2)16-14-10-18(11-15(14)16)9-13-7-5-4-6-8-13/h4-8,12,14-16H,3,9-11H2,1-2H3/t12-,14-,15+,16?/m1/s1.
What are the key properties of ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate?
ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate has a molecular weight of 273.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]propanoate is sourced from PubChem (CID 175923548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).