ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C7H10F3NO4 — CID 58448718

IUPACethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCOC(=O)C(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4/c1-2-15-5(13)4(3-12)11-6(14)7(8,9)10/h4,12H,2-3H2,1H3,(H,11,14)
InChIKeyAUKYRADQPKFYGD-UHFFFAOYSA-N
MW229.15 g/mol
LogP-0.41
Rot. Bonds4

About ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate

ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 58448718) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID58448718
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Nameethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCOC(=O)C(CO)NC(=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4/c1-2-15-5(13)4(3-12)11-6(14)7(8,9)10/h4,12H,2-3H2,1H3,(H,11,14)
InChIKeyAUKYRADQPKFYGD-UHFFFAOYSA-N
XLogP-0.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]-3-hydroxypropanoate
CID 59740172
ethyl (2S)-4-oxo-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 13313510
ethyl 2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 14778327
ethyl 3-diethoxyphosphoryl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 101030133
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231
ethyl (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoate
CID 59016112
ethyl (2R,3S)-4,4,4-trifluoro-2-hydroxy-3-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 100980510
ethyl 2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoate;hydrochloride
CID 156620479
methyl 2-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 90995953
(2S)-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 79006992
nonyl 4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91727809
methyl (2S)-5-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 102385977

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 58448718) is ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate is CCOC(=O)C(CO)NC(=O)C(F)(F)F.
What is the InChIKey of ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is AUKYRADQPKFYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4/c1-2-15-5(13)4(3-12)11-6(14)7(8,9)10/h4,12H,2-3H2,1H3,(H,11,14).
What are the key properties of ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 229.15 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 58448718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).