methyl 2-amino-5-(3-methoxyphenoxy)benzoate

C15H15NO4 — CID 61313873

IUPACmethyl 2-amino-5-(3-methoxyphenoxy)benzoate
SMILESCOC(=O)c1cc(Oc2cccc(OC)c2)ccc1N
InChIInChI=1S/C15H15NO4/c1-18-10-4-3-5-11(8-10)20-12-6-7-14(16)13(9-12)15(17)19-2/h3-9H,16H2,1-2H3
InChIKeyPIMJSPSKIRWYCC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.86
Rot. Bonds4

About methyl 2-amino-5-(3-methoxyphenoxy)benzoate

methyl 2-amino-5-(3-methoxyphenoxy)benzoate (PubChem CID 61313873) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-amino-5-(3-methoxyphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-methoxyphenoxy)benzoate
PubChem CID61313873
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Namemethyl 2-amino-5-(3-methoxyphenoxy)benzoate
SMILESCOC(=O)c1cc(Oc2cccc(OC)c2)ccc1N
InChIInChI=1S/C15H15NO4/c1-18-10-4-3-5-11(8-10)20-12-6-7-14(16)13(9-12)15(17)19-2/h3-9H,16H2,1-2H3
InChIKeyPIMJSPSKIRWYCC-UHFFFAOYSA-N
XLogP2.86
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.86
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-5-methoxybenzoate
CID 13052275
methyl 2-amino-5-(2-methoxyphenoxy)benzoate
CID 61306841
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
methyl 2-amino-5-[(6-methyl-3-pyridinyl)oxy]benzoate
CID 62058841
methyl 2-amino-5-propan-2-yloxybenzoate
CID 13052308
methyl 2-amino-5-(3-chloro-2-fluorophenoxy)benzoate
CID 116689734
methyl 2-amino-5-(2,3,6-trimethylphenoxy)benzoate
CID 63423643
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
propyl 2-amino-5-methoxybenzoate
CID 60837149
methyl 2-methoxy-5-phenoxybenzoate
CID 82552164

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-methoxyphenoxy)benzoate?
The IUPAC name of methyl 2-amino-5-(3-methoxyphenoxy)benzoate (CID 61313873) is methyl 2-amino-5-(3-methoxyphenoxy)benzoate.
What is the SMILES notation for methyl 2-amino-5-(3-methoxyphenoxy)benzoate?
The canonical SMILES for methyl 2-amino-5-(3-methoxyphenoxy)benzoate is COC(=O)c1cc(Oc2cccc(OC)c2)ccc1N.
What is the InChIKey of methyl 2-amino-5-(3-methoxyphenoxy)benzoate?
The InChIKey is PIMJSPSKIRWYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-18-10-4-3-5-11(8-10)20-12-6-7-14(16)13(9-12)15(17)19-2/h3-9H,16H2,1-2H3.
What are the key properties of methyl 2-amino-5-(3-methoxyphenoxy)benzoate?
methyl 2-amino-5-(3-methoxyphenoxy)benzoate has a molecular weight of 273.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-methoxyphenoxy)benzoate is sourced from PubChem (CID 61313873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).