methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate

C13H20N2O5 — CID 13194808

IUPACmethyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate
SMILESCOC(=O)CNc1cc(CO)cc(NCCO)c1OC
InChIInChI=1S/C13H20N2O5/c1-19-12(18)7-15-11-6-9(8-17)5-10(13(11)20-2)14-3-4-16/h5-6,14-17H,3-4,7-8H2,1-2H3
InChIKeySNFBWAXGHJUYSW-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.18
Rot. Bonds8

About methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate

methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate (PubChem CID 13194808) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate
PubChem CID13194808
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate
SMILESCOC(=O)CNc1cc(CO)cc(NCCO)c1OC
InChIInChI=1S/C13H20N2O5/c1-19-12(18)7-15-11-6-9(8-17)5-10(13(11)20-2)14-3-4-16/h5-6,14-17H,3-4,7-8H2,1-2H3
InChIKeySNFBWAXGHJUYSW-UHFFFAOYSA-N
XLogP0.18
TPSA100.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyphenyl]-N-methylcarbamate
CID 70521315
methyl 2-(2-methoxy-3,5-dimethylanilino)acetate
CID 115232671
methyl 2-(4-methoxy-2,3,5-trimethylanilino)acetate
CID 115232672
2-(2-methoxy-3,5-dimethylanilino)ethanol
CID 82491310
methyl 2-(4-methoxy-3,5-dimethylanilino)acetate
CID 115232720
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
methyl 2-[2,5-dimethoxy-3-(4-methylphenyl)sulfonylanilino]acetate
CID 22304151
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
methyl 2-(3,5-dichloroanilino)acetate
CID 28576225
2-(3,4,5-trimethoxyanilino)ethanol
CID 28571961
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate?
The IUPAC name of methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate (CID 13194808) is methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate.
What is the SMILES notation for methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate?
The canonical SMILES for methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate is COC(=O)CNc1cc(CO)cc(NCCO)c1OC.
What is the InChIKey of methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate?
The InChIKey is SNFBWAXGHJUYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-19-12(18)7-15-11-6-9(8-17)5-10(13(11)20-2)14-3-4-16/h5-6,14-17H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate?
methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate has a molecular weight of 284.31 g/mol, XLogP of 0.18, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-hydroxyethylamino)-5-(hydroxymethyl)-2-methoxyanilino]acetate is sourced from PubChem (CID 13194808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).