(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide

C8H15F3N2O2 — CID 86762421

IUPAC(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCC[C@H](N)[C@H](O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-3-5(12)6(14)7(15)13-4-8(9,10)11/h5-6,14H,2-4,12H2,1H3,(H,13,15)/t5-,6-/m0/s1
InChIKeyFYJZUELTGNGYKY-WDSKDSINSA-N
MW228.21 g/mol
LogP0.15
Rot. Bonds5

About (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide

(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 86762421) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

Compound Name(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
PubChem CID86762421
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
SMILESCCC[C@H](N)[C@H](O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-2-3-5(12)6(14)7(15)13-4-8(9,10)11/h5-6,14H,2-4,12H2,1H3,(H,13,15)/t5-,6-/m0/s1
InChIKeyFYJZUELTGNGYKY-WDSKDSINSA-N
XLogP0.15
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
2-amino-N-(2,2,2-trifluoroethyl)propanamide
CID 24690825
3-amino-2-hydroxy-N-prop-2-enylhexanamide;hydrochloride
CID 139291083
2-amino-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 122359947
(3S)-3-amino-2-hydroxy-4-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 69029068
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919
ethane;prop-2-enyl 2-[(3-amino-2-hydroxyhexanoyl)amino]acetate
CID 142110693
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide?
The IUPAC name of (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide (CID 86762421) is (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide.
What is the SMILES notation for (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide?
The canonical SMILES for (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide is CCC[C@H](N)[C@H](O)C(=O)NCC(F)(F)F.
What is the InChIKey of (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide?
The InChIKey is FYJZUELTGNGYKY-WDSKDSINSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-3-5(12)6(14)7(15)13-4-8(9,10)11/h5-6,14H,2-4,12H2,1H3,(H,13,15)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide?
(2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 228.21 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 86762421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).