azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride

C11H19FN2O3 — CID 174185401

IUPACazane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
SMILESCCOC(=O)C(N)Cc1ccc(O)cc1.F.N
InChIInChI=1S/C11H15NO3.FH.H3N/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;;/h3-6,10,13H,2,7,12H2,1H3;1H;1H3
InChIKeyARNDQCWKOIUKRV-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.14
Rot. Bonds4

About azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride

azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride (PubChem CID 174185401) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride.

Molecular Properties

Compound Nameazane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
PubChem CID174185401
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Nameazane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
SMILESCCOC(=O)C(N)Cc1ccc(O)cc1.F.N
InChIInChI=1S/C11H15NO3.FH.H3N/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;;/h3-6,10,13H,2,7,12H2,1H3;1H;1H3
InChIKeyARNDQCWKOIUKRV-UHFFFAOYSA-N
XLogP1.14
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
ethyl (2R,4S)-4-amino-2-(hydroxymethyl)-5-(4-hydroxyphenyl)-3-oxopentanoate
CID 140570565
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
ethyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 76905411
ethyl 2-amino-3-(4-pentylphenyl)propanoate
CID 170884689
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559

Frequently Asked Questions

What is the IUPAC name of azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride?
The IUPAC name of azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride (CID 174185401) is azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride.
What is the SMILES notation for azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride?
The canonical SMILES for azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride is CCOC(=O)C(N)Cc1ccc(O)cc1.F.N.
What is the InChIKey of azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride?
The InChIKey is ARNDQCWKOIUKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3.FH.H3N/c1-2-15-11(14)10(12)7-8-3-5-9(13)6-4-8;;/h3-6,10,13H,2,7,12H2,1H3;1H;1H3.
What are the key properties of azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride?
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride has a molecular weight of 246.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride is sourced from PubChem (CID 174185401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).