[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate

C12H15NO4 — CID 11323292

IUPAC[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
SMILESCOc1ccc(C(=O)[C@H](N)COC(C)=O)cc1
InChIInChI=1S/C12H15NO4/c1-8(14)17-7-11(13)12(15)9-3-5-10(16-2)6-4-9/h3-6,11H,7,13H2,1-2H3/t11-/m1/s1
InChIKeyLFNVGBRCKKOHOC-LLVKDONJSA-N
MW237.25 g/mol
LogP0.77
Rot. Bonds5

About [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate

[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate (PubChem CID 11323292) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate.

Molecular Properties

Compound Name[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
PubChem CID11323292
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate
SMILESCOc1ccc(C(=O)[C@H](N)COC(C)=O)cc1
InChIInChI=1S/C12H15NO4/c1-8(14)17-7-11(13)12(15)9-3-5-10(16-2)6-4-9/h3-6,11H,7,13H2,1-2H3/t11-/m1/s1
InChIKeyLFNVGBRCKKOHOC-LLVKDONJSA-N
XLogP0.77
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-1-(4-methoxyphenyl)-3-methylsulfanylpropan-1-one
CID 54567584
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
ethyl (2S)-3-acetyloxy-2-(4-methoxyphenyl)propanoate
CID 11346142
[(2S)-3-hydroxy-2-(4-methoxyphenyl)propyl] acetate
CID 15668336
[1,2-bis(4-methoxyphenyl)-2-oxoethyl] 2-acetyloxyacetate
CID 163632936
ethyl acetate;4-methoxybenzoic acid
CID 158342660
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
(2R)-2-hydroxy-3,3-dimethoxy-1-(4-methoxyphenyl)propan-1-one
CID 11424975
(2S)-2-amino-3-methoxy-1-phenylpropan-1-one
CID 68527964
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate?
The IUPAC name of [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate (CID 11323292) is [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate.
What is the SMILES notation for [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate?
The canonical SMILES for [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate is COc1ccc(C(=O)[C@H](N)COC(C)=O)cc1.
What is the InChIKey of [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate?
The InChIKey is LFNVGBRCKKOHOC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(14)17-7-11(13)12(15)9-3-5-10(16-2)6-4-9/h3-6,11H,7,13H2,1-2H3/t11-/m1/s1.
What are the key properties of [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate?
[(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate has a molecular weight of 237.25 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-(4-methoxyphenyl)-3-oxopropyl] acetate is sourced from PubChem (CID 11323292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).