methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate

C16H17NO4 — CID 115547292

IUPACmethyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate
SMILESCOCc1cccc(Oc2cccc(C(=O)OC)c2N)c1
InChIInChI=1S/C16H17NO4/c1-19-10-11-5-3-6-12(9-11)21-14-8-4-7-13(15(14)17)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyAHOZASNWBQCLSS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.99
Rot. Bonds5

About methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate

methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate (PubChem CID 115547292) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate
PubChem CID115547292
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate
SMILESCOCc1cccc(Oc2cccc(C(=O)OC)c2N)c1
InChIInChI=1S/C16H17NO4/c1-19-10-11-5-3-6-12(9-11)21-14-8-4-7-13(15(14)17)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyAHOZASNWBQCLSS-UHFFFAOYSA-N
XLogP2.99
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
methyl 2-amino-3-(4-chloro-3-fluorophenoxy)benzoate
CID 82716287
methyl 3-amino-2-(3-ethylphenoxy)benzoate
CID 115935681
2-amino-5-[3-(methoxymethyl)phenoxy]benzamide
CID 63987043
methyl 2-amino-3-(4-cyano-3-fluorophenoxy)benzoate
CID 115547363
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
1-(2-amino-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 107469155
methyl 2-amino-3-[(3-methoxyphenyl)methylamino]benzoate
CID 115545001
methyl 2-amino-3-[2-(2-hydroxyethyl)phenoxy]benzoate
CID 107713839
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate?
The IUPAC name of methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate (CID 115547292) is methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate.
What is the SMILES notation for methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate?
The canonical SMILES for methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate is COCc1cccc(Oc2cccc(C(=O)OC)c2N)c1.
What is the InChIKey of methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate?
The InChIKey is AHOZASNWBQCLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-10-11-5-3-6-12(9-11)21-14-8-4-7-13(15(14)17)16(18)20-2/h3-9H,10,17H2,1-2H3.
What are the key properties of methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate?
methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate is sourced from PubChem (CID 115547292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).