propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C14H16F3NO3 — CID 11347207

IUPACpropyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-2-8-21-12(19)11(18-13(20)14(15,16)17)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,18,20)
InChIKeyJHDCNBPPZIIXOE-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.23
Rot. Bonds6

About propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 11347207) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Namepropyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID11347207
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Namepropyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-2-8-21-12(19)11(18-13(20)14(15,16)17)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,18,20)
InChIKeyJHDCNBPPZIIXOE-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-acetamido-3-phenylpropanoate
CID 3917469
tert-butyl (2R)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11130916
octyl 2-(2,2,3,3,3-pentafluoropropanoylamino)-3-phenylpropanoate
CID 91719484
tetradecyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoate
CID 91719469
heptadecyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoate
CID 91719472
4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-[(2,2,2-trifluoroacetyl)amino]butanoic acid
CID 3531744
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362
N-(4-chloro-3-oxo-1-phenylbutan-2-yl)-2,2,2-trifluoroacetamide
CID 75966680
methyl (2S)-2-[[2-benzyl-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-3-phenylpropanoate
CID 102060954
butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 71223995
(4-nitrophenyl) (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 154191344
methyl (2R)-3-(4-iodophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 162568507

Frequently Asked Questions

What is the IUPAC name of propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 11347207) is propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is CCCOC(=O)C(Cc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is JHDCNBPPZIIXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-2-8-21-12(19)11(18-13(20)14(15,16)17)9-10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,18,20).
What are the key properties of propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 303.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 11347207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).