(2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one

C23H23NO2 — CID 173171749

IUPAC(2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one
SMILESC[C@@H](O)[C@H](N)C(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-16(25)22(24)23(26)20-14-12-19(13-15-20)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21-22,25H,24H2,1H3/t16-,22+/m1/s1
InChIKeyUNPRYIMNORDLIR-ZHRRBRCNSA-N
MW345.44 g/mol
LogP3.76
Rot. Bonds6

About (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one

(2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one (PubChem CID 173171749) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one
PubChem CID173171749
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one
SMILESC[C@@H](O)[C@H](N)C(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23NO2/c1-16(25)22(24)23(26)20-14-12-19(13-15-20)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21-22,25H,24H2,1H3/t16-,22+/m1/s1
InChIKeyUNPRYIMNORDLIR-ZHRRBRCNSA-N
XLogP3.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
(2S,3R)-2-amino-3,4-dihydroxy-1-phenylbutan-1-one
CID 99867992
(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
CID 99867988
2,3-diamino-4-oxo-4-phenylbutanoic acid
CID 172863570
4-[(1S,2R)-1-amino-2-hydroxypropyl]benzoic acid
CID 131021441
4-(1-oxo-1-phenylpropan-2-yl)benzamide
CID 102174990
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778
2-hydroxy-1-phenyl-2-(4-propan-2-ylphenyl)ethanone
CID 23513084
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
2-hydroxy-1,2-diphenylethanone
CID 159399559
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
CID 67900502

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one?
The IUPAC name of (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one (CID 173171749) is (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one.
What is the SMILES notation for (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one?
The canonical SMILES for (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one is C[C@@H](O)[C@H](N)C(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one?
The InChIKey is UNPRYIMNORDLIR-ZHRRBRCNSA-N. The full InChI is InChI=1S/C23H23NO2/c1-16(25)22(24)23(26)20-14-12-19(13-15-20)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-16,21-22,25H,24H2,1H3/t16-,22+/m1/s1.
What are the key properties of (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one?
(2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one has a molecular weight of 345.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one is sourced from PubChem (CID 173171749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).