ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate

C8H14F3NO2 — CID 10846253

IUPACethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
SMILESCCOC(=O)[C@@](N)(C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-4-14-6(13)7(12,5(2)3)8(9,10)11/h5H,4,12H2,1-3H3/t7-/m0/s1
InChIKeyFFVSGZBIJDFKLE-ZETCQYMHSA-N
MW213.20 g/mol
LogP1.47
Rot. Bonds3

About ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate

ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate (PubChem CID 10846253) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
PubChem CID10846253
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nameethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
SMILESCCOC(=O)[C@@](N)(C(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-4-14-6(13)7(12,5(2)3)8(9,10)11/h5H,4,12H2,1-3H3/t7-/m0/s1
InChIKeyFFVSGZBIJDFKLE-ZETCQYMHSA-N
XLogP1.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl (2S)-2-amino-4-methyl-2-(trifluoromethyl)pentanoate
CID 15858333
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl (2S)-2-amino-2-(trifluoromethyl)butanoate
CID 10821843
diethyl 2-[bromo(difluoro)methyl]-2-propan-2-ylpropanedioate
CID 23236210
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl 3-hydroxy-2,2-dimethoxybutanoate
CID 88708132
ethyl 2-amino-3-pyridin-2-yl-2-(trifluoromethyl)butanoate
CID 122372494
1-O-ethyl 3-O-propan-2-yl 2-hydroxy-2-(trifluoromethyl)propanedioate
CID 156762008
ethyl 3-amino-2,2-difluoro-4-methylpentanoate
CID 165438541

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate?
The IUPAC name of ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate (CID 10846253) is ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate is CCOC(=O)[C@@](N)(C(C)C)C(F)(F)F.
What is the InChIKey of ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate?
The InChIKey is FFVSGZBIJDFKLE-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-4-14-6(13)7(12,5(2)3)8(9,10)11/h5H,4,12H2,1-3H3/t7-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate?
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate has a molecular weight of 213.20 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 10846253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).