methyl 2-amino-2-cyclohexyl-3-fluorobutanoate

C11H20FNO2 — CID 105471433

IUPACmethyl 2-amino-2-cyclohexyl-3-fluorobutanoate
SMILESCOC(=O)C(N)(C(C)F)C1CCCCC1
InChIInChI=1S/C11H20FNO2/c1-8(12)11(13,10(14)15-2)9-6-4-3-5-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyBKKOCOSJQYZBMG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.80
Rot. Bonds3

About methyl 2-amino-2-cyclohexyl-3-fluorobutanoate

methyl 2-amino-2-cyclohexyl-3-fluorobutanoate (PubChem CID 105471433) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is methyl 2-amino-2-cyclohexyl-3-fluorobutanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclohexyl-3-fluorobutanoate
PubChem CID105471433
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Namemethyl 2-amino-2-cyclohexyl-3-fluorobutanoate
SMILESCOC(=O)C(N)(C(C)F)C1CCCCC1
InChIInChI=1S/C11H20FNO2/c1-8(12)11(13,10(14)15-2)9-6-4-3-5-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyBKKOCOSJQYZBMG-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclohexyl-3-fluorobutanoate?
The IUPAC name of methyl 2-amino-2-cyclohexyl-3-fluorobutanoate (CID 105471433) is methyl 2-amino-2-cyclohexyl-3-fluorobutanoate.
What is the SMILES notation for methyl 2-amino-2-cyclohexyl-3-fluorobutanoate?
The canonical SMILES for methyl 2-amino-2-cyclohexyl-3-fluorobutanoate is COC(=O)C(N)(C(C)F)C1CCCCC1.
What is the InChIKey of methyl 2-amino-2-cyclohexyl-3-fluorobutanoate?
The InChIKey is BKKOCOSJQYZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-8(12)11(13,10(14)15-2)9-6-4-3-5-7-9/h8-9H,3-7,13H2,1-2H3.
What are the key properties of methyl 2-amino-2-cyclohexyl-3-fluorobutanoate?
methyl 2-amino-2-cyclohexyl-3-fluorobutanoate has a molecular weight of 217.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclohexyl-3-fluorobutanoate is sourced from PubChem (CID 105471433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).