(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one

C11H15NO2 — CID 122674877

IUPAC(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)[C@@H](N)[C@](C)(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(13)10(12)11(2,14)9-6-4-3-5-7-9/h3-7,10,14H,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyPXJOKMGISGIHPC-GHMZBOCLSA-N
MW193.25 g/mol
LogP0.81
Rot. Bonds3

About (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one

(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one (PubChem CID 122674877) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
PubChem CID122674877
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one
SMILESCC(=O)[C@@H](N)[C@](C)(O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(13)10(12)11(2,14)9-6-4-3-5-7-9/h3-7,10,14H,12H2,1-2H3/t10-,11-/m1/s1
InChIKeyPXJOKMGISGIHPC-GHMZBOCLSA-N
XLogP0.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-4-methyl-4-phenylpentan-2-one
CID 138709724
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
2-fluoro-3-hydroxy-3-phenylbutanoic acid
CID 79367352
ethyl (2R,3S)-2-bromo-3-hydroxy-3-phenylbutanoate
CID 11500207
(2S,3R)-2-amino-3-hydroxy-N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-N-methyl-3-phenylbutanamide
CID 134544444
(2S)-2-amino-3-hydroxy-3,3-diphenylpropanoic acid
CID 168862010
(2S)-2-amino-3,3-difluoro-3-phenylpropanoic acid
CID 7128426
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
(4R,5R)-5-hydroxy-4-methyl-5-phenylhexan-3-one
CID 13299690
sodium;(4S,5R)-4-acetyl-5-methyl-5-phenyl-1,3-oxazolidin-2-one;(2S,3R)-2-amino-3-hydroxy-3-phenylbutan-1-one;(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one;(4S,5R)-5-methyl-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylic acid;hydroxide
CID 159602969
3-hydroxy-2,2-dimethyl-3-phenylbutanoic acid
CID 12570468
4-hydroxy-3-methyl-4-(methylamino)-4-phenylbutan-2-one
CID 174652042

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one?
The IUPAC name of (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one (CID 122674877) is (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one is CC(=O)[C@@H](N)[C@](C)(O)c1ccccc1.
What is the InChIKey of (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one?
The InChIKey is PXJOKMGISGIHPC-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(13)10(12)11(2,14)9-6-4-3-5-7-9/h3-7,10,14H,12H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one?
(3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-hydroxy-4-phenylpentan-2-one is sourced from PubChem (CID 122674877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).