[(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

C10H16F3NO3 — CID 22217126

IUPAC[(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC[C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16)9(3,4)14-7(15)10(11,12)13/h6H,5H2,1-4H3,(H,14,15)/t6-/m1/s1
InChIKeyHPDZPPNNMYSICB-ZCFIWIBFSA-N
MW255.24 g/mol
LogP1.79
Rot. Bonds4

About [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate

[(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 22217126) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID22217126
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name[(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCC[C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16)9(3,4)14-7(15)10(11,12)13/h6H,5H2,1-4H3,(H,14,15)/t6-/m1/s1
InChIKeyHPDZPPNNMYSICB-ZCFIWIBFSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate with MolForge

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Related Compounds

Butyl N-(trifluoroacetyl)-alpha-aminoisobutyrate
CID 527836
N-trifluoroacetyl-isovaline n-propyl ester
CID 13797711
N-pentafluoropropionyl-dl-isovaline (+)-3-methyl-2-butyl ester
CID 129724082
2-Methyl-2-(trifluoroacetylamino)propionic acid 1-methylpropyl ester
CID 592907
Hexan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 597707
Pentan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 597708
Butan-2-yl 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 597710
Alanine, 2-methyl-N-(trifluoroacetyl)-, 1-methylpropyl ester, (S)-
CID 22217127
L-Isovaline, N-(trifluoroacetyl)-, 1-methylpentyl ester
CID 22217380
L-Isovaline, N-(trifluoroacetyl)-, 1-methylbutyl ester
CID 22217381
D-Isovaline, N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 22217383
L-Isovaline, N-(trifluoroacetyl)-, 1-methylpropyl ester
CID 22217384

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate (CID 22217126) is [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is CC[C@@H](C)OC(=O)C(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is HPDZPPNNMYSICB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16)9(3,4)14-7(15)10(11,12)13/h6H,5H2,1-4H3,(H,14,15)/t6-/m1/s1.
What are the key properties of [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate?
[(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 255.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] 2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 22217126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).