3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one

C12H17NO3 — CID 116567202

IUPAC3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one
SMILESCOCCC(N)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-16-6-5-11(13)12(15)8-9-3-2-4-10(14)7-9/h2-4,7,11,14H,5-6,8,13H2,1H3
InChIKeyZRVSPBZFGFAJGJ-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.87
Rot. Bonds6

About 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one

3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one (PubChem CID 116567202) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one.

Molecular Properties

Compound Name3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one
PubChem CID116567202
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one
SMILESCOCCC(N)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-16-6-5-11(13)12(15)8-9-3-2-4-10(14)7-9/h2-4,7,11,14H,5-6,8,13H2,1H3
InChIKeyZRVSPBZFGFAJGJ-UHFFFAOYSA-N
XLogP0.87
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3,4-dimethylphenyl)-5-methoxypentan-2-one
CID 116567369
3-amino-5-methoxy-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116567406
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822
benzyl 2-amino-4-methoxybutanoate
CID 62479875
1-amino-3-(3-hydroxyphenyl)-1-phenylpropan-2-one
CID 116551129
3-amino-1-methoxy-7-phenylheptan-4-one
CID 116567219
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250
3-amino-5-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 116567372
3-amino-5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-one
CID 116567370
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
3-amino-1-(5-bromo-2-methoxyphenyl)-5-methoxypentan-2-one
CID 116567439
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one?
The IUPAC name of 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one (CID 116567202) is 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one.
What is the SMILES notation for 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one?
The canonical SMILES for 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one is COCCC(N)C(=O)Cc1cccc(O)c1.
What is the InChIKey of 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one?
The InChIKey is ZRVSPBZFGFAJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-16-6-5-11(13)12(15)8-9-3-2-4-10(14)7-9/h2-4,7,11,14H,5-6,8,13H2,1H3.
What are the key properties of 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one?
3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one has a molecular weight of 223.27 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-hydroxyphenyl)-5-methoxypentan-2-one is sourced from PubChem (CID 116567202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).