(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

C12H15F3N2O2 — CID 103795784

IUPAC(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)10(18)7-17-11(19)9(16)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,16H2,(H,17,19)/t9-,10?/m1/s1
InChIKeyRPSKDVKIAMNNLK-YHMJZVADSA-N
MW276.26 g/mol
LogP0.60
Rot. Bonds5

About (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide

(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (PubChem CID 103795784) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
PubChem CID103795784
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)10(18)7-17-11(19)9(16)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,16H2,(H,17,19)/t9-,10?/m1/s1
InChIKeyRPSKDVKIAMNNLK-YHMJZVADSA-N
XLogP0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
CID 103796488
4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 166734854
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 119328654
(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 70927054
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide;hydrochloride
CID 119304969
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The IUPAC name of (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide (CID 103795784) is (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide.
What is the SMILES notation for (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The canonical SMILES for (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is N[C@H](Cc1ccccc1)C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
The InChIKey is RPSKDVKIAMNNLK-YHMJZVADSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)10(18)7-17-11(19)9(16)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,16H2,(H,17,19)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide?
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide has a molecular weight of 276.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide is sourced from PubChem (CID 103795784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).