methyl 2-amino-4,5-dimethoxybenzoate

C10H13NO4 — CID 611144

IUPACmethyl 2-amino-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
InChIKeyQQFHCCQSCQBKBG-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.07
Rot. Bonds3

About methyl 2-amino-4,5-dimethoxybenzoate

methyl 2-amino-4,5-dimethoxybenzoate (PubChem CID 611144) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-amino-4,5-dimethoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-4,5-dimethoxybenzoate
PubChem CID611144
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-amino-4,5-dimethoxybenzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
InChIKeyQQFHCCQSCQBKBG-UHFFFAOYSA-N
XLogP1.07
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4,5-dimethoxybenzoate?
The IUPAC name of methyl 2-amino-4,5-dimethoxybenzoate (CID 611144) is methyl 2-amino-4,5-dimethoxybenzoate.
What is the SMILES notation for methyl 2-amino-4,5-dimethoxybenzoate?
The canonical SMILES for methyl 2-amino-4,5-dimethoxybenzoate is COC(=O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of methyl 2-amino-4,5-dimethoxybenzoate?
The InChIKey is QQFHCCQSCQBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3.
What are the key properties of methyl 2-amino-4,5-dimethoxybenzoate?
methyl 2-amino-4,5-dimethoxybenzoate has a molecular weight of 211.22 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4,5-dimethoxybenzoate is sourced from PubChem (CID 611144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).