(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide

C12H15F3N2O2 — CID 69029068

IUPAC(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESN[C@@H](Cc1ccccc1)C(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)7-17-11(19)10(18)9(16)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,16H2,(H,17,19)/t9-,10?/m0/s1
InChIKeyWDIJUHINUHKHLQ-RGURZIINSA-N
MW276.26 g/mol
LogP0.60
Rot. Bonds5

About (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide

(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 69029068) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID69029068
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESN[C@@H](Cc1ccccc1)C(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)7-17-11(19)10(18)9(16)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,16H2,(H,17,19)/t9-,10?/m0/s1
InChIKeyWDIJUHINUHKHLQ-RGURZIINSA-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

(3S)-3-amino-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide;2,2,2-trifluoroacetic acid
CID 11849655
[(2S)-3-hydroxy-4-oxo-1-phenyl-4-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 91315890
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
(2R)-3-amino-N-benzyl-2-hydroxypentanamide;2,2,2-trifluoroacetic acid
CID 131737762
(3S)-3-amino-N-(cyclopentylmethyl)-2-hydroxy-4-phenylbutanamide
CID 56998596
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
4-[(2-amino-3-phenylpropanoyl)amino]-2,2-difluoro-3-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 166734854
2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 172569317
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
(2R,3S)-3-amino-2-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylbutanamide
CID 142702802

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide (CID 69029068) is (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide is N[C@@H](Cc1ccccc1)C(O)C(=O)NCC(F)(F)F.
What is the InChIKey of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WDIJUHINUHKHLQ-RGURZIINSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)7-17-11(19)10(18)9(16)6-8-4-2-1-3-5-8/h1-5,9-10,18H,6-7,16H2,(H,17,19)/t9-,10?/m0/s1.
What are the key properties of (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide?
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide 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 (3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 69029068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).