methyl 3-hydroxy-2-(2-methoxyanilino)propanoate

C11H15NO4 — CID 104711246

IUPACmethyl 3-hydroxy-2-(2-methoxyanilino)propanoate
SMILESCOC(=O)C(CO)Nc1ccccc1OC
InChIInChI=1S/C11H15NO4/c1-15-10-6-4-3-5-8(10)12-9(7-13)11(14)16-2/h3-6,9,12-13H,7H2,1-2H3
InChIKeyLQHFZMVWIWZHFO-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.64
Rot. Bonds5

About methyl 3-hydroxy-2-(2-methoxyanilino)propanoate

methyl 3-hydroxy-2-(2-methoxyanilino)propanoate (PubChem CID 104711246) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(2-methoxyanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(2-methoxyanilino)propanoate
PubChem CID104711246
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 3-hydroxy-2-(2-methoxyanilino)propanoate
SMILESCOC(=O)C(CO)Nc1ccccc1OC
InChIInChI=1S/C11H15NO4/c1-15-10-6-4-3-5-8(10)12-9(7-13)11(14)16-2/h3-6,9,12-13H,7H2,1-2H3
InChIKeyLQHFZMVWIWZHFO-UHFFFAOYSA-N
XLogP0.64
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890361
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
ethyl 2-(2-methoxyanilino)-4-methylpentanoate
CID 54890505
ethyl 4-amino-3-(2-methoxyanilino)-4-oxobutanoate
CID 66431538
methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate
CID 18323567
2-(2-methoxyanilino)-1,4-diphenylbutane-1,4-dione
CID 11760150
(2R)-2-(2-methoxyanilino)-4-oxo-4-phenylbutanoic acid
CID 1088578
methyl 2-[2-(ethylsulfamoyl)anilino]-3-hydroxypropanoate
CID 62004727
methyl 3-hydroxy-2-(2-methoxyphenyl)propanoate
CID 117244498
methyl 3-hydroxy-2-(pyridin-2-ylamino)propanoate
CID 62005676
methyl 2-(2-methoxyanilino)-2-(2-methylphenyl)acetate
CID 60993730

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(2-methoxyanilino)propanoate?
The IUPAC name of methyl 3-hydroxy-2-(2-methoxyanilino)propanoate (CID 104711246) is methyl 3-hydroxy-2-(2-methoxyanilino)propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-(2-methoxyanilino)propanoate?
The canonical SMILES for methyl 3-hydroxy-2-(2-methoxyanilino)propanoate is COC(=O)C(CO)Nc1ccccc1OC.
What is the InChIKey of methyl 3-hydroxy-2-(2-methoxyanilino)propanoate?
The InChIKey is LQHFZMVWIWZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-10-6-4-3-5-8(10)12-9(7-13)11(14)16-2/h3-6,9,12-13H,7H2,1-2H3.
What are the key properties of methyl 3-hydroxy-2-(2-methoxyanilino)propanoate?
methyl 3-hydroxy-2-(2-methoxyanilino)propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(2-methoxyanilino)propanoate is sourced from PubChem (CID 104711246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).