(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid

C12H15F3N2O4 — CID 161347199

IUPAC(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid
SMILESC[C@@](N)(c1ccccc1)[C@H](O)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2O2.C2HF3O2/c1-10(12,8(13)9(11)14)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6,8,13H,12H2,1H3,(H2,11,14);(H,6,7)/t8-,10-;/m1./s1
InChIKeyKVSQGOWVUAESOQ-GHXDPTCOSA-N
MW308.26 g/mol
LogP0.34
Rot. Bonds3

About (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid

(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 161347199) has the molecular formula C12H15F3N2O4 and a molecular weight of 308.26 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID161347199
Molecular FormulaC12H15F3N2O4
Molecular Weight308.26 g/mol
Exact Mass308.10
IUPAC Name(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid
SMILESC[C@@](N)(c1ccccc1)[C@H](O)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C10H14N2O2.C2HF3O2/c1-10(12,8(13)9(11)14)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6,8,13H,12H2,1H3,(H2,11,14);(H,6,7)/t8-,10-;/m1./s1
InChIKeyKVSQGOWVUAESOQ-GHXDPTCOSA-N
XLogP0.34
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-2-hydroxy-3-phenylbutanoate
CID 74334118
2-(dimethylamino)-2-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 68774111
2-(1,1-diphenylethyl)propanediamide
CID 175584560
3-amino-2-fluoro-2-phenylbutanoic acid
CID 67114338
2-methylpropan-2-amine;2,2,2-trifluoroacetic acid;hydroiodide
CID 173177783
methanol;toluene;2,2,2-trifluoroacetic acid
CID 175547904
(2S)-2-phenylbutane-2,3-diamine
CID 175403934
ethyl 3,3,3-trifluoro-2-methyl-2-phenylpropanoate;2,2,2-trifluoroacetic acid
CID 174398683
(2S,3S)-4,4,5,5,6,6,7,7,7-nonafluoro-3-hydroxy-2-methyl-3-phenylheptanamide
CID 132934571
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-2-phenylpropanamide
CID 120587567

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid (CID 161347199) is (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid is C[C@@](N)(c1ccccc1)[C@H](O)C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is KVSQGOWVUAESOQ-GHXDPTCOSA-N. The full InChI is InChI=1S/C10H14N2O2.C2HF3O2/c1-10(12,8(13)9(11)14)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h2-6,8,13H,12H2,1H3,(H2,11,14);(H,6,7)/t8-,10-;/m1./s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid?
(2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 308.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-3-phenylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161347199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).