methyl 2-(2-amino-4,5-dimethoxyanilino)acetate

C11H16N2O4 — CID 83001432

IUPACmethyl 2-(2-amino-4,5-dimethoxyanilino)acetate
SMILESCOC(=O)CNc1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H16N2O4/c1-15-9-4-7(12)8(5-10(9)16-2)13-6-11(14)17-3/h4-5,13H,6,12H2,1-3H3
InChIKeyLWYZUZONAFYORF-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.87
Rot. Bonds5

About methyl 2-(2-amino-4,5-dimethoxyanilino)acetate

methyl 2-(2-amino-4,5-dimethoxyanilino)acetate (PubChem CID 83001432) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-(2-amino-4,5-dimethoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4,5-dimethoxyanilino)acetate
PubChem CID83001432
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 2-(2-amino-4,5-dimethoxyanilino)acetate
SMILESCOC(=O)CNc1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H16N2O4/c1-15-9-4-7(12)8(5-10(9)16-2)13-6-11(14)17-3/h4-5,13H,6,12H2,1-3H3
InChIKeyLWYZUZONAFYORF-UHFFFAOYSA-N
XLogP0.87
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4,5-dimethoxyanilino)acetamide
CID 83001750
methyl 3-(2-amino-4,5-dimethoxyanilino)propanoate
CID 83001699
3-(2-amino-4,5-dimethoxyanilino)-2,2-dimethylpropanamide
CID 106275255
methyl 2-(2-amino-4-iodoanilino)acetate
CID 66066838
methyl N-(2-amino-4,5-dimethoxyphenyl)carbamate
CID 43551388
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
methyl 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]acetate
CID 43450468
2-(2-amino-4-fluoro-5-methoxyanilino)-N-ethylacetamide
CID 63600102
N-(2-amino-4,5-dimethoxyphenyl)-2-methylbutanamide
CID 43549148
N-(2-amino-4,5-dimethoxyphenyl)-2-ethylbutanamide
CID 28866736
2-N-benzyl-4,5-dimethoxybenzene-1,2-diamine
CID 13230181
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4,5-dimethoxyanilino)acetate?
The IUPAC name of methyl 2-(2-amino-4,5-dimethoxyanilino)acetate (CID 83001432) is methyl 2-(2-amino-4,5-dimethoxyanilino)acetate.
What is the SMILES notation for methyl 2-(2-amino-4,5-dimethoxyanilino)acetate?
The canonical SMILES for methyl 2-(2-amino-4,5-dimethoxyanilino)acetate is COC(=O)CNc1cc(OC)c(OC)cc1N.
What is the InChIKey of methyl 2-(2-amino-4,5-dimethoxyanilino)acetate?
The InChIKey is LWYZUZONAFYORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-15-9-4-7(12)8(5-10(9)16-2)13-6-11(14)17-3/h4-5,13H,6,12H2,1-3H3.
What are the key properties of methyl 2-(2-amino-4,5-dimethoxyanilino)acetate?
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate has a molecular weight of 240.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4,5-dimethoxyanilino)acetate is sourced from PubChem (CID 83001432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).