methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate

C16H17NO4 — CID 63986850

IUPACmethyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
SMILESCOCc1cccc(Oc2ccc(N)cc2C(=O)OC)c1
InChIInChI=1S/C16H17NO4/c1-19-10-11-4-3-5-13(8-11)21-15-7-6-12(17)9-14(15)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyMGMBVABWMOGTNT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.99
Rot. Bonds5

About methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate

methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate (PubChem CID 63986850) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
PubChem CID63986850
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Namemethyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
SMILESCOCc1cccc(Oc2ccc(N)cc2C(=O)OC)c1
InChIInChI=1S/C16H17NO4/c1-19-10-11-4-3-5-13(8-11)21-15-7-6-12(17)9-14(15)16(18)20-2/h3-9H,10,17H2,1-2H3
InChIKeyMGMBVABWMOGTNT-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

methyl 2-amino-3-[3-(methoxymethyl)phenoxy]benzoate
CID 115547292
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
CID 22731359
methyl 5-amino-2-phenoxybenzoate
CID 23019285
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
2-amino-3-[3-(methoxymethyl)phenoxy]benzamide
CID 115547294
methyl 5-amino-2-(3,5-difluorophenoxy)benzoate
CID 62783761
ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
methyl 5-amino-2-(methoxymethoxy)benzoate
CID 106955744
5-amino-2-[(3-methoxyphenyl)methoxy]benzoic acid
CID 43379967
methyl 4-amino-2-(3-chlorophenoxy)benzoate
CID 71517872

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate?
The IUPAC name of methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate (CID 63986850) is methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate.
What is the SMILES notation for methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate?
The canonical SMILES for methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate is COCc1cccc(Oc2ccc(N)cc2C(=O)OC)c1.
What is the InChIKey of methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate?
The InChIKey is MGMBVABWMOGTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-19-10-11-4-3-5-13(8-11)21-15-7-6-12(17)9-14(15)16(18)20-2/h3-9H,10,17H2,1-2H3.
What are the key properties of methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate?
methyl 5-amino-2-[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 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate is sourced from PubChem (CID 63986850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).