propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C14H16F3NO3 — CID 14251820

IUPACpropan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(2)21-12(19)11(18-13(20)14(15,16)17)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyYULLKCJHWWNQEE-NSHDSACASA-N
MW303.28 g/mol
LogP2.23
Rot. Bonds5

About propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 14251820) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID14251820
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Namepropan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H16F3NO3/c1-9(2)21-12(19)11(18-13(20)14(15,16)17)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyYULLKCJHWWNQEE-NSHDSACASA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 14251820) is propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is CC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is YULLKCJHWWNQEE-NSHDSACASA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-9(2)21-12(19)11(18-13(20)14(15,16)17)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 303.28 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 14251820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).