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

C13H16F3NO2 — CID 75535024

IUPACethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)[C@](C)(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-3-19-11(18)12(2,17)8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,3,8,17H2,1-2H3/t12-/m1/s1
InChIKeyQQHHIHQGAHSEME-GFCCVEGCSA-N
MW275.27 g/mol
LogP2.53
Rot. Bonds4

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

ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate (PubChem CID 75535024) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate
PubChem CID75535024
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Nameethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate
SMILESCCOC(=O)[C@](C)(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H16F3NO2/c1-3-19-11(18)12(2,17)8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,3,8,17H2,1-2H3/t12-/m1/s1
InChIKeyQQHHIHQGAHSEME-GFCCVEGCSA-N
XLogP2.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
CID 131875959
diethyl 2-methoxy-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate
CID 11244970
ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate
CID 17277
2-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanoic acid
CID 55106534
tert-butyl (2S)-2-amino-3-(4-tert-butylphenyl)-2-methylpropanoate
CID 101249445
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
ethyl 4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoate
CID 118033133
2-ethoxy-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 142389020
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
ethyl 2-chloro-3-[4-(trifluoromethyl)phenyl]propanoate
CID 83194781
3-ethoxy-3-oxo-2-[[4-(trifluoromethyl)phenyl]methyl]propanoic acid
CID 103973539

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate (CID 75535024) is ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate is CCOC(=O)[C@](C)(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate?
The InChIKey is QQHHIHQGAHSEME-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-3-19-11(18)12(2,17)8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,3,8,17H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate?
ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate has a molecular weight of 275.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-2-methyl-3-[4-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 75535024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).