ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate

C11H13F2NO3 — CID 170885000

IUPACethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(F)cc(F)c1O
InChIInChI=1S/C11H13F2NO3/c1-2-17-11(16)9(14)4-6-3-7(12)5-8(13)10(6)15/h3,5,9,15H,2,4,14H2,1H3
InChIKeyLAHFXABJGDRQAK-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.10
Rot. Bonds4

About ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate

ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate (PubChem CID 170885000) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
PubChem CID170885000
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(F)cc(F)c1O
InChIInChI=1S/C11H13F2NO3/c1-2-17-11(16)9(14)4-6-3-7(12)5-8(13)10(6)15/h3,5,9,15H,2,4,14H2,1H3
InChIKeyLAHFXABJGDRQAK-UHFFFAOYSA-N
XLogP1.10
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 171238105
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
ethyl 2-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoate
CID 112694609
ethyl 2-(3,5-difluoro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117335730
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
ethyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
CID 170884939
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl 2-(3,5-difluoro-4-hydroxyphenyl)-2-hydroxyacetate
CID 117335732
ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
CID 170885706
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate (CID 170885000) is ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate is CCOC(=O)C(N)Cc1cc(F)cc(F)c1O.
What is the InChIKey of ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
The InChIKey is LAHFXABJGDRQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-2-17-11(16)9(14)4-6-3-7(12)5-8(13)10(6)15/h3,5,9,15H,2,4,14H2,1H3.
What are the key properties of ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate?
ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate has a molecular weight of 245.22 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate is sourced from PubChem (CID 170885000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).