ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate

C13H17F2NO3 — CID 82007437

IUPACethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate
SMILESCCOC(=O)C(N)(COCC(F)F)c1ccccc1
InChIInChI=1S/C13H17F2NO3/c1-2-19-12(17)13(16,9-18-8-11(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9,16H2,1H3
InChIKeyMAMWOWAJGIWAHN-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.69
Rot. Bonds7

About ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate

ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate (PubChem CID 82007437) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate
PubChem CID82007437
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Nameethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate
SMILESCCOC(=O)C(N)(COCC(F)F)c1ccccc1
InChIInChI=1S/C13H17F2NO3/c1-2-19-12(17)13(16,9-18-8-11(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9,16H2,1H3
InChIKeyMAMWOWAJGIWAHN-UHFFFAOYSA-N
XLogP1.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(2,2-difluoroethoxy)-2-(methylamino)-2-phenylpropanoate
CID 82006590
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
diethyl 2-iodo-2-phenylpropanedioate
CID 168868817
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
ethyl 2-amino-4-cyclobutyloxy-2-phenylbutanoate
CID 116694362
ethyl 2-(aminomethyl)-2-phenyl-3-(2,2,2-trifluoroethoxy)propanoate
CID 106706864
ethyl 2-(ethoxymethyl)-3-methoxy-2-phenylpropanoate
CID 142276862
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate?
The IUPAC name of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate (CID 82007437) is ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate?
The canonical SMILES for ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate is CCOC(=O)C(N)(COCC(F)F)c1ccccc1.
What is the InChIKey of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate?
The InChIKey is MAMWOWAJGIWAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-2-19-12(17)13(16,9-18-8-11(14)15)10-6-4-3-5-7-10/h3-7,11H,2,8-9,16H2,1H3.
What are the key properties of ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate?
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate has a molecular weight of 273.28 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,2-difluoroethoxy)-2-phenylpropanoate is sourced from PubChem (CID 82007437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).