methyl 2-amino-4-(2-methoxyethoxy)benzoate

C11H15NO4 — CID 166066284

IUPACmethyl 2-amino-4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)OC)c(N)c1
InChIInChI=1S/C11H15NO4/c1-14-5-6-16-8-3-4-9(10(12)7-8)11(13)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyITOTUIJJVJWVQI-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.08
Rot. Bonds5

About methyl 2-amino-4-(2-methoxyethoxy)benzoate

methyl 2-amino-4-(2-methoxyethoxy)benzoate (PubChem CID 166066284) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methoxyethoxy)benzoate
PubChem CID166066284
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 2-amino-4-(2-methoxyethoxy)benzoate
SMILESCOCCOc1ccc(C(=O)OC)c(N)c1
InChIInChI=1S/C11H15NO4/c1-14-5-6-16-8-3-4-9(10(12)7-8)11(13)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyITOTUIJJVJWVQI-UHFFFAOYSA-N
XLogP1.08
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-4-(2-methoxyethoxy)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
2-amino-4-methoxy-N-(2-methoxyethoxy)benzamide
CID 82721345
methyl 4-(2-aminoethoxy)-2-fluorobenzoate;hydrochloride
CID 69211241
methyl 5-(2-methoxyethoxy)-2-[4-(2-methoxyethoxy)phenyl]sulfanylbenzoate
CID 130333007
methyl 2-amino-4-(hydroxymethyl)benzoate
CID 602338
methyl 2-amino-4-[4-(3-amino-4-methylphenoxy)butoxy]-5-fluorobenzoate
CID 162752368
methyl 2-hydroxy-4-(2-hydroxyethoxy)benzoate
CID 586358
methyl 4-[4-[4-methoxycarbonyl-3-(methylamino)phenoxy]butoxy]-2-(methylamino)benzoate
CID 162752160
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
2-amino-4-(2-aminoethoxy)benzoic acid
CID 177325721
2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-methoxyethoxy)benzoate?
The IUPAC name of methyl 2-amino-4-(2-methoxyethoxy)benzoate (CID 166066284) is methyl 2-amino-4-(2-methoxyethoxy)benzoate.
What is the SMILES notation for methyl 2-amino-4-(2-methoxyethoxy)benzoate?
The canonical SMILES for methyl 2-amino-4-(2-methoxyethoxy)benzoate is COCCOc1ccc(C(=O)OC)c(N)c1.
What is the InChIKey of methyl 2-amino-4-(2-methoxyethoxy)benzoate?
The InChIKey is ITOTUIJJVJWVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-5-6-16-8-3-4-9(10(12)7-8)11(13)15-2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of methyl 2-amino-4-(2-methoxyethoxy)benzoate?
methyl 2-amino-4-(2-methoxyethoxy)benzoate has a molecular weight of 225.24 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 166066284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).