methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate

C8H12F3NO5 — CID 103940728

IUPACmethyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H12F3NO5/c1-16-7(15)5(2-13)12-6(14)3-17-4-8(9,10)11/h5,13H,2-4H2,1H3,(H,12,14)
InChIKeyDZYNPKPVTNUWFA-UHFFFAOYSA-N
MW259.18 g/mol
LogP-0.78
Rot. Bonds6

About methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate

methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate (PubChem CID 103940728) has the molecular formula C8H12F3NO5 and a molecular weight of 259.18 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
PubChem CID103940728
Molecular FormulaC8H12F3NO5
Molecular Weight259.18 g/mol
Exact Mass259.07
IUPAC Namemethyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)COCC(F)(F)F
InChIInChI=1S/C8H12F3NO5/c1-16-7(15)5(2-13)12-6(14)3-17-4-8(9,10)11/h5,13H,2-4H2,1H3,(H,12,14)
InChIKeyDZYNPKPVTNUWFA-UHFFFAOYSA-N
XLogP-0.78
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-hydroxy-2-[[2-(2-methoxyethoxy)acetyl]amino]propanoate
CID 43422807
methyl 3-hydroxy-2-[(2-propoxyacetyl)amino]propanoate
CID 104701957
(2S)-4-methoxy-4-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]butanoic acid
CID 103205985
5-methoxy-5-oxo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]pentanoic acid
CID 103206219
N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209512
N-(1-amino-4-methoxybutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 114212190
methyl (2R)-3-hydroxy-2-[[5-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-5-oxopentanoyl]amino]propanoate
CID 90449496
methyl 2-[(2-chloroacetyl)amino]-3-hydroxypropanoate
CID 43311461
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
N-(4-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
(2S)-3-hydroxy-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]propanoic acid
CID 61152760
methyl 3-hydroxy-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 43405710

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate (CID 103940728) is methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate is COC(=O)C(CO)NC(=O)COCC(F)(F)F.
What is the InChIKey of methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
The InChIKey is DZYNPKPVTNUWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO5/c1-16-7(15)5(2-13)12-6(14)3-17-4-8(9,10)11/h5,13H,2-4H2,1H3,(H,12,14).
What are the key properties of methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate?
methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate has a molecular weight of 259.18 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoate is sourced from PubChem (CID 103940728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).