(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one

C11H15NO2 — CID 99867988

IUPAC(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
SMILESCO[C@H](C)[C@@H](N)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(14-2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3/t8-,10-/m1/s1
InChIKeyQCICBWFHIYMZKF-PSASIEDQSA-N
MW193.25 g/mol
LogP1.23
Rot. Bonds4

About (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one

(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one (PubChem CID 99867988) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
PubChem CID99867988
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
SMILESCO[C@H](C)[C@@H](N)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-8(14-2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3/t8-,10-/m1/s1
InChIKeyQCICBWFHIYMZKF-PSASIEDQSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778
2,3-diamino-4-oxo-4-phenylbutanoic acid
CID 172863570
3,3-dimethoxy-2-methyl-1-phenylpropan-1-one
CID 12709072
methyl 2-bromo-3-oxo-3-phenylpropanoate
CID 71438799
(2R,3R)-2-bromo-3-methoxy-4-methyl-1-phenylpentan-1-one
CID 164683734
2-(dimethoxymethyl)-1,3-diphenylpropane-1,3-dione
CID 641430
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
3-bromo-2-methoxy-1-phenylpropan-1-one
CID 14063307
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
methoxycarbonyl 2-methyl-3-oxo-3-phenylpropanoate
CID 174535402
2-methoxy-1,4-diphenylbutane-1,4-dione
CID 11459858

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one?
The IUPAC name of (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one (CID 99867988) is (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one.
What is the SMILES notation for (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one?
The canonical SMILES for (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one is CO[C@H](C)[C@@H](N)C(=O)c1ccccc1.
What is the InChIKey of (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one?
The InChIKey is QCICBWFHIYMZKF-PSASIEDQSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(14-2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3/t8-,10-/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one?
(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one is sourced from PubChem (CID 99867988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).