methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate

C13H15F3N2O3 — CID 79793300

IUPACmethyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C(C)(N)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15F3N2O3/c1-12(17,13(14,15)16)11(20)18-9(10(19)21-2)8-6-4-3-5-7-8/h3-7,9H,17H2,1-2H3,(H,18,20)
InChIKeyDVXDDUWZRIZGCC-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.30
Rot. Bonds4

About methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate

methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate (PubChem CID 79793300) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate
PubChem CID79793300
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Namemethyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)C(C)(N)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H15F3N2O3/c1-12(17,13(14,15)16)11(20)18-9(10(19)21-2)8-6-4-3-5-7-8/h3-7,9H,17H2,1-2H3,(H,18,20)
InChIKeyDVXDDUWZRIZGCC-UHFFFAOYSA-N
XLogP1.30
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
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CID 178035855

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate (CID 79793300) is methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)C(C)(N)C(F)(F)F)c1ccccc1.
What is the InChIKey of methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate?
The InChIKey is DVXDDUWZRIZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-12(17,13(14,15)16)11(20)18-9(10(19)21-2)8-6-4-3-5-7-8/h3-7,9H,17H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate?
methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate has a molecular weight of 304.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]-2-phenylacetate is sourced from PubChem (CID 79793300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).