tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate

C11H15F6NO3 — CID 103310505

IUPACtert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
SMILESC[C@@H](NC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C11H15F6NO3/c1-5(8(20)21-9(2,3)4)18-7(19)6(10(12,13)14)11(15,16)17/h5-6H,1-4H3,(H,18,19)/t5-/m1/s1
InChIKeyTTWHTGWNDHSXEQ-RXMQYKEDSA-N
MW323.23 g/mol
LogP2.57
Rot. Bonds3

About tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate

tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate (PubChem CID 103310505) has the molecular formula C11H15F6NO3 and a molecular weight of 323.23 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
PubChem CID103310505
Molecular FormulaC11H15F6NO3
Molecular Weight323.23 g/mol
Exact Mass323.10
IUPAC Nametert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate
SMILESC[C@@H](NC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C11H15F6NO3/c1-5(8(20)21-9(2,3)4)18-7(19)6(10(12,13)14)11(15,16)17/h5-6H,1-4H3,(H,18,19)/t5-/m1/s1
InChIKeyTTWHTGWNDHSXEQ-RXMQYKEDSA-N
XLogP2.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl (2R)-2-[[(2S)-2-aminopropanoyl]amino]propanoate
CID 91979491
tert-butyl 2-[2-(2-aminopropanoylamino)propanoylamino]propanoate
CID 14487194
tert-butyl 2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoate
CID 87406078
tert-butyl (2S)-2-[[(2S)-2-[[(2S,3S)-2,3-diamino-4-[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]propanoate
CID 155444698
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl (2S)-2-[[(2S)-2-[(2-hydroxyacetyl)amino]propanoyl]amino]propanoate
CID 87732284
tert-butyl (2R)-2-(2-cyclopropylpropanoylamino)propanoate
CID 81004307
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888
tert-butyl (2S)-2-[[(2S)-2-amino-5,5-dimethylhexanoyl]amino]propanoate
CID 166567820

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate (CID 103310505) is tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate is C[C@@H](NC(=O)C(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate?
The InChIKey is TTWHTGWNDHSXEQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H15F6NO3/c1-5(8(20)21-9(2,3)4)18-7(19)6(10(12,13)14)11(15,16)17/h5-6H,1-4H3,(H,18,19)/t5-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate?
tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate has a molecular weight of 323.23 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propanoate is sourced from PubChem (CID 103310505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).