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

C12H14F3NO2 — CID 3372676

IUPACethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-18-11(17)10(16)7-8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,2,7,16H2,1H3
InChIKeyLCWLYKNKFMDTGE-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.14
Rot. Bonds4

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

ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate (PubChem CID 3372676) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
PubChem CID3372676
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nameethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c1-2-18-11(17)10(16)7-8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,2,7,16H2,1H3
InChIKeyLCWLYKNKFMDTGE-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539
ethyl 2-chloro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 83194781
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl 2-amino-3-[3-chloro-5-(trifluoromethyl)phenyl]propanoate
CID 170885231
ethyl 2-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 79019964
ethyl 2-amino-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoate
CID 170885356
[4-(trifluoromethyl)phenyl]methyl 2-aminobutanoate
CID 174480491
ethyl 2-amino-3-[4-(1-amino-2,2-dimethylpropyl)phenyl]propanoate
CID 69334174
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate (CID 3372676) is ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate is CCOC(=O)C(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
The InChIKey is LCWLYKNKFMDTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-2-18-11(17)10(16)7-8-3-5-9(6-4-8)12(13,14)15/h3-6,10H,2,7,16H2,1H3.
What are the key properties of ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate?
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate has a molecular weight of 261.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 3372676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).