2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide

C13H17F3N2O2 — CID 107861005

IUPAC2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
SMILESCC(N)(C(=O)N[C@@H](CO)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-12(17,13(14,15)16)11(20)18-10(8-19)7-9-5-3-2-4-6-9/h2-6,10,19H,7-8,17H2,1H3,(H,18,20)/t10-,12?/m1/s1
InChIKeyGGRJXLVLPBKAGI-RWANSRKNSA-N
MW290.28 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide (PubChem CID 107861005) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
PubChem CID107861005
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
SMILESCC(N)(C(=O)N[C@@H](CO)Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-12(17,13(14,15)16)11(20)18-10(8-19)7-9-5-3-2-4-6-9/h2-6,10,19H,7-8,17H2,1H3,(H,18,20)/t10-,12?/m1/s1
InChIKeyGGRJXLVLPBKAGI-RWANSRKNSA-N
XLogP0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide
CID 15660575
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-2-methylpentanamide
CID 63261623
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-3,4,4-trimethylpentanamide
CID 107861443
6-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-4,4-dimethylhexanamide
CID 65291089
4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 107862064
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719
2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 55168250
(2R)-2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylbutanamide
CID 79013366

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide (CID 107861005) is 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide is CC(N)(C(=O)N[C@@H](CO)Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
The InChIKey is GGRJXLVLPBKAGI-RWANSRKNSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-12(17,13(14,15)16)11(20)18-10(8-19)7-9-5-3-2-4-6-9/h2-6,10,19H,7-8,17H2,1H3,(H,18,20)/t10-,12?/m1/s1.
What are the key properties of 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide has a molecular weight of 290.28 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 107861005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).