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

C16H15NO5 — CID 22731359

IUPACmethyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
SMILESCOC(=O)c1cccc(Oc2ccc(N)cc2C(=O)OC)c1
InChIInChI=1S/C16H15NO5/c1-20-15(18)10-4-3-5-12(8-10)22-14-7-6-11(17)9-13(14)16(19)21-2/h3-9H,17H2,1-2H3
InChIKeyABYFUCPFBKCGKU-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.63
Rot. Bonds4

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

methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate (PubChem CID 22731359) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
PubChem CID22731359
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Namemethyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate
SMILESCOC(=O)c1cccc(Oc2ccc(N)cc2C(=O)OC)c1
InChIInChI=1S/C16H15NO5/c1-20-15(18)10-4-3-5-12(8-10)22-14-7-6-11(17)9-13(14)16(19)21-2/h3-9H,17H2,1-2H3
InChIKeyABYFUCPFBKCGKU-UHFFFAOYSA-N
XLogP2.63
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-amino-2-phenoxybenzoate
CID 23019285
methyl 5-amino-2-(3-fluorophenoxy)benzoate
CID 61307733
methyl 5-amino-2-[3-(methoxymethyl)phenoxy]benzoate
CID 63986850
methyl 5-amino-2-(3,5-difluorophenoxy)benzoate
CID 62783761
methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
ethyl 5-amino-2-(3-methylphenoxy)benzoate
CID 61305399
methyl 4-amino-2-(3-chlorophenoxy)benzoate
CID 71517872
methyl 5-amino-2-(2-bromophenoxy)benzoate
CID 61305622
methyl 5-amino-2-(3-chloro-2-fluorophenoxy)benzoate
CID 116689744
methyl 5-amino-2-iodooxybenzoate
CID 170212136
5-amino-2-(3-methylphenoxy)benzoic acid
CID 54887826
methyl 5-amino-2-(4-bromo-2-methylphenoxy)benzoate
CID 63217059

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate?
The IUPAC name of methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate (CID 22731359) is methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate.
What is the SMILES notation for methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate?
The canonical SMILES for methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate is COC(=O)c1cccc(Oc2ccc(N)cc2C(=O)OC)c1.
What is the InChIKey of methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate?
The InChIKey is ABYFUCPFBKCGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-20-15(18)10-4-3-5-12(8-10)22-14-7-6-11(17)9-13(14)16(19)21-2/h3-9H,17H2,1-2H3.
What are the key properties of methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate?
methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate has a molecular weight of 301.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3-methoxycarbonylphenoxy)benzoate is sourced from PubChem (CID 22731359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).