ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate

C18H20FNO3 — CID 170885350

IUPACethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3/c1-2-22-18(21)17(20)11-13-7-9-15(10-8-13)23-12-14-5-3-4-6-16(14)19/h3-10,17H,2,11-12,20H2,1H3
InChIKeyBSEAEVSRYYHKKE-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.84
Rot. Bonds7

About ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate

ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate (PubChem CID 170885350) has the molecular formula C18H20FNO3 and a molecular weight of 317.36 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
PubChem CID170885350
Molecular FormulaC18H20FNO3
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Nameethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO3/c1-2-22-18(21)17(20)11-13-7-9-15(10-8-13)23-12-14-5-3-4-6-16(14)19/h3-10,17H,2,11-12,20H2,1H3
InChIKeyBSEAEVSRYYHKKE-UHFFFAOYSA-N
XLogP2.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-amino-3-[4-[(4-chlorophenyl)methoxy]phenyl]propanoate;hydrochloride
CID 70109180
ethyl (2S)-3-(4-acetyloxyphenyl)-2-aminopropanoate
CID 146209579
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate
CID 140519890
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
benzyl (2S)-2-amino-3-[4-(2-ethoxy-2-oxoethoxy)phenyl]propanoate
CID 139716314
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
ethyl (2S)-2-amino-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]propanoate
CID 175720445
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate (CID 170885350) is ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate is CCOC(=O)C(N)Cc1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate?
The InChIKey is BSEAEVSRYYHKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3/c1-2-22-18(21)17(20)11-13-7-9-15(10-8-13)23-12-14-5-3-4-6-16(14)19/h3-10,17H,2,11-12,20H2,1H3.
What are the key properties of ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate?
ethyl 2-amino-3-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate has a molecular weight of 317.36 g/mol, XLogP of 2.84, 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-[4-[(2-fluorophenyl)methoxy]phenyl]propanoate is sourced from PubChem (CID 170885350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).