(2R)-2-amino-3-methyl-1-phenylbutan-1-one

C11H15NO — CID 23245859

IUPAC(2R)-2-amino-3-methyl-1-phenylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3/t10-/m1/s1
InChIKeyDGSKMKVBPWZYGE-SNVBAGLBSA-N
MW177.25 g/mol
LogP1.85
Rot. Bonds3

About (2R)-2-amino-3-methyl-1-phenylbutan-1-one

(2R)-2-amino-3-methyl-1-phenylbutan-1-one (PubChem CID 23245859) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-1-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-1-phenylbutan-1-one
PubChem CID23245859
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2R)-2-amino-3-methyl-1-phenylbutan-1-one
SMILESCC(C)[C@@H](N)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3/t10-/m1/s1
InChIKeyDGSKMKVBPWZYGE-SNVBAGLBSA-N
XLogP1.85
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
CID 67900502
(2R,3R)-2-amino-3-methoxy-1-phenylbutan-1-one
CID 99867988
2,3-diamino-4-oxo-4-phenylbutanoic acid
CID 172863570
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426
2-amino-3-methyl-1-phenylpentan-1-one;hydrochloride
CID 23438778
2,4-diamino-3-hydroxy-1-phenylbutan-1-one;platinum
CID 174439836
2,3-diamino-1-phenylpropan-1-one
CID 4990100
(2S,3R)-2-amino-3,4-dihydroxy-1-phenylbutan-1-one
CID 99867992
N'-(2-amino-3-methylbutanoyl)benzohydrazide
CID 82116600
(2S,3R)-2-amino-1-(4-benzhydrylphenyl)-3-hydroxybutan-1-one
CID 173171749
benzamide;2,3-dimethylbutane
CID 162214835
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-1-phenylbutan-1-one?
The IUPAC name of (2R)-2-amino-3-methyl-1-phenylbutan-1-one (CID 23245859) is (2R)-2-amino-3-methyl-1-phenylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-3-methyl-1-phenylbutan-1-one?
The canonical SMILES for (2R)-2-amino-3-methyl-1-phenylbutan-1-one is CC(C)[C@@H](N)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-methyl-1-phenylbutan-1-one?
The InChIKey is DGSKMKVBPWZYGE-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10H,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-1-phenylbutan-1-one?
(2R)-2-amino-3-methyl-1-phenylbutan-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-1-phenylbutan-1-one is sourced from PubChem (CID 23245859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).