(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one

C11H15NO2 — CID 59897360

IUPAC(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
SMILESCC(=O)[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(13)11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10-11,14H,7,12H2,1H3/t10-,11-/m0/s1
InChIKeyGJPFHRUTWWFJAS-QWRGUYRKSA-N
MW193.25 g/mol
LogP0.51
Rot. Bonds4

About (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one

(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one (PubChem CID 59897360) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one.

Molecular Properties

Compound Name(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
PubChem CID59897360
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
SMILESCC(=O)[C@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(13)11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10-11,14H,7,12H2,1H3/t10-,11-/m0/s1
InChIKeyGJPFHRUTWWFJAS-QWRGUYRKSA-N
XLogP0.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;2-hydroxypropanoic acid;hydrochloride
CID 158951284
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one?
The IUPAC name of (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one (CID 59897360) is (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one.
What is the SMILES notation for (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one?
The canonical SMILES for (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one is CC(=O)[C@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one?
The InChIKey is GJPFHRUTWWFJAS-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(13)11(14)10(12)7-9-5-3-2-4-6-9/h2-6,10-11,14H,7,12H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one?
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one is sourced from PubChem (CID 59897360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).