(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one

C11H15NO2 — CID 67900502

IUPAC(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-7(2)10(12)11(14)8-3-5-9(13)6-4-8/h3-7,10,13H,12H2,1-2H3/t10-/m0/s1
InChIKeyKKPQSJMYRQUTCG-JTQLQIEISA-N
MW193.25 g/mol
LogP1.56
Rot. Bonds3

About (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one

(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one (PubChem CID 67900502) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
PubChem CID67900502
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)c1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-7(2)10(12)11(14)8-3-5-9(13)6-4-8/h3-7,10,13H,12H2,1-2H3/t10-/m0/s1
InChIKeyKKPQSJMYRQUTCG-JTQLQIEISA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
CID 86601556
2-amino-1-(4-fluoro-3-methylphenyl)-3-methylbutan-1-one
CID 82040171
2-(aminomethyl)-3-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 141155148
methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate
CID 177159646
4-amino-1-(4-hydroxyphenyl)pentan-1-one
CID 155205061
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 67120739
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2R)-2-amino-3-methylbutanoic acid
CID 161457314
(2R)-2-amino-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 79013339
2-amino-1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481433
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one (CID 67900502) is (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)c1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one?
The InChIKey is KKPQSJMYRQUTCG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)10(12)11(14)8-3-5-9(13)6-4-8/h3-7,10,13H,12H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one?
(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 67900502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).