ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C7H10F3NO3 — CID 14778326

IUPACethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-5(12)4(2)11-6(13)7(8,9)10/h4H,3H2,1-2H3,(H,11,13)/t4-/m0/s1
InChIKeyZCDYVEXWCKFMGY-BYPYZUCNSA-N
MW213.15 g/mol
LogP0.62
Rot. Bonds3

About ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate

ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 14778326) has the molecular formula C7H10F3NO3 and a molecular weight of 213.15 g/mol. Its IUPAC name is ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID14778326
Molecular FormulaC7H10F3NO3
Molecular Weight213.15 g/mol
Exact Mass213.06
IUPAC Nameethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCOC(=O)[C@H](C)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO3/c1-3-14-5(12)4(2)11-6(13)7(8,9)10/h4H,3H2,1-2H3,(H,11,13)/t4-/m0/s1
InChIKeyZCDYVEXWCKFMGY-BYPYZUCNSA-N
XLogP0.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 14778326) is ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is CCOC(=O)[C@H](C)NC(=O)C(F)(F)F.
What is the InChIKey of ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is ZCDYVEXWCKFMGY-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10F3NO3/c1-3-14-5(12)4(2)11-6(13)7(8,9)10/h4H,3H2,1-2H3,(H,11,13)/t4-/m0/s1.
What are the key properties of ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 213.15 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 14778326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).