diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate

C20H26FNO4 — CID 66902736

IUPACdiethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILESCCOC(=O)[C@H]1C2C(F)CC(N[C@H](C)c3ccccc3)(C(=O)OCC)C21
InChIInChI=1S/C20H26FNO4/c1-4-25-18(23)16-15-14(21)11-20(17(15)16,19(24)26-5-2)22-12(3)13-9-7-6-8-10-13/h6-10,12,14-17,22H,4-5,11H2,1-3H3/t12-,14?,15?,16+,17?,20?/m1/s1
InChIKeyLUZMUMFRPWBNFE-WNEUAZOBSA-N
MW363.43 g/mol
LogP2.81
Rot. Bonds7

About diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate

diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate (PubChem CID 66902736) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate
PubChem CID66902736
Molecular FormulaC20H26FNO4
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Namediethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILESCCOC(=O)[C@H]1C2C(F)CC(N[C@H](C)c3ccccc3)(C(=O)OCC)C21
InChIInChI=1S/C20H26FNO4/c1-4-25-18(23)16-15-14(21)11-20(17(15)16,19(24)26-5-2)22-12(3)13-9-7-6-8-10-13/h6-10,12,14-17,22H,4-5,11H2,1-3H3/t12-,14?,15?,16+,17?,20?/m1/s1
InChIKeyLUZMUMFRPWBNFE-WNEUAZOBSA-N
XLogP2.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate?
The IUPAC name of diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate (CID 66902736) is diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate.
What is the SMILES notation for diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate?
The canonical SMILES for diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate is CCOC(=O)[C@H]1C2C(F)CC(N[C@H](C)c3ccccc3)(C(=O)OCC)C21.
What is the InChIKey of diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate?
The InChIKey is LUZMUMFRPWBNFE-WNEUAZOBSA-N. The full InChI is InChI=1S/C20H26FNO4/c1-4-25-18(23)16-15-14(21)11-20(17(15)16,19(24)26-5-2)22-12(3)13-9-7-6-8-10-13/h6-10,12,14-17,22H,4-5,11H2,1-3H3/t12-,14?,15?,16+,17?,20?/m1/s1.
What are the key properties of diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate?
diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate has a molecular weight of 363.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S,4R,6R)-4-fluoro-2-[[(1R)-1-phenylethyl]amino]bicyclo[3.1.0]hexane-2,6-dicarboxylate is sourced from PubChem (CID 66902736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).