ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate

C11H13F2NO3 — CID 55144001

IUPACethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
SMILESCCOC(=O)C(N)COc1cccc(F)c1F
InChIInChI=1S/C11H13F2NO3/c1-2-16-11(15)8(14)6-17-9-5-3-4-7(12)10(9)13/h3-5,8H,2,6,14H2,1H3
InChIKeyKJNOHOJHJWAWBE-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.23
Rot. Bonds5

About ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate

ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate (PubChem CID 55144001) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
PubChem CID55144001
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
SMILESCCOC(=O)C(N)COc1cccc(F)c1F
InChIInChI=1S/C11H13F2NO3/c1-2-16-11(15)8(14)6-17-9-5-3-4-7(12)10(9)13/h3-5,8H,2,6,14H2,1H3
InChIKeyKJNOHOJHJWAWBE-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
1-(2,3-difluorophenoxy)-3,3-dimethylbutan-2-amine
CID 63037624
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
CID 63038671
methyl 2-acetamido-3-(2,3-difluorophenoxy)propanoate
CID 65443788
(2S)-3-(2,3-difluorophenoxy)-2-(methylamino)propanoic acid
CID 170897243
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
CID 64998716
ethyl 2-amino-3-(4-fluoro-2-nitrophenoxy)propanoate
CID 62368869
diethyl 2-(2,3-difluorophenyl)propanedioate
CID 63990453
2-(2,3-difluorophenoxy)-1-(4-ethylphenyl)ethanamine
CID 63036402
ethyl (3S)-3-amino-3-(2,3-difluorophenyl)-2-fluoropropanoate;hydrochloride
CID 171247764

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate?
The IUPAC name of ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate (CID 55144001) is ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate is CCOC(=O)C(N)COc1cccc(F)c1F.
What is the InChIKey of ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate?
The InChIKey is KJNOHOJHJWAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-2-16-11(15)8(14)6-17-9-5-3-4-7(12)10(9)13/h3-5,8H,2,6,14H2,1H3.
What are the key properties of ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate?
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate has a molecular weight of 245.22 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate is sourced from PubChem (CID 55144001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).