methyl 2-(4-aminobenzoyl)oxybenzoate

C15H13NO4 — CID 3031786

IUPACmethyl 2-(4-aminobenzoyl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H13NO4/c1-19-15(18)12-4-2-3-5-13(12)20-14(17)10-6-8-11(16)9-7-10/h2-9H,16H2,1H3
InChIKeyFWUXPZCBHUTZHP-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.27
Rot. Bonds3

About methyl 2-(4-aminobenzoyl)oxybenzoate

methyl 2-(4-aminobenzoyl)oxybenzoate (PubChem CID 3031786) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is methyl 2-(4-aminobenzoyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4-aminobenzoyl)oxybenzoate
PubChem CID3031786
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Namemethyl 2-(4-aminobenzoyl)oxybenzoate
SMILESCOC(=O)c1ccccc1OC(=O)c1ccc(N)cc1
InChIInChI=1S/C15H13NO4/c1-19-15(18)12-4-2-3-5-13(12)20-14(17)10-6-8-11(16)9-7-10/h2-9H,16H2,1H3
InChIKeyFWUXPZCBHUTZHP-UHFFFAOYSA-N
XLogP2.27
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(bromomethyl)benzoyl]oxybenzoate
CID 42631900
(2-methoxycarbonylphenyl) pyridine-4-carboxylate
CID 786465
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
(2-methoxycarbonylphenyl) 4-hydroxy-3-methoxybenzoate
CID 59397478
methyl 2-[4-(dimethylsulfamoyl)benzoyl]oxybenzoate
CID 17391310
methyl 2-(2-hydroxyphenoxy)carbonyloxybenzoate
CID 69027946
4-aminobenzoic acid;methyl 2-aminobenzoate
CID 174874321
ethyl 4-aminobenzoate;methyl 2-hydroxybenzoate
CID 11186177
methyl 2-[(4-methoxycarbonylphenyl)methoxy]benzoate
CID 7894205
(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
CID 171109487
methyl 2-(2-chloropropanoyloxy)benzoate
CID 151617516

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminobenzoyl)oxybenzoate?
The IUPAC name of methyl 2-(4-aminobenzoyl)oxybenzoate (CID 3031786) is methyl 2-(4-aminobenzoyl)oxybenzoate.
What is the SMILES notation for methyl 2-(4-aminobenzoyl)oxybenzoate?
The canonical SMILES for methyl 2-(4-aminobenzoyl)oxybenzoate is COC(=O)c1ccccc1OC(=O)c1ccc(N)cc1.
What is the InChIKey of methyl 2-(4-aminobenzoyl)oxybenzoate?
The InChIKey is FWUXPZCBHUTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-15(18)12-4-2-3-5-13(12)20-14(17)10-6-8-11(16)9-7-10/h2-9H,16H2,1H3.
What are the key properties of methyl 2-(4-aminobenzoyl)oxybenzoate?
methyl 2-(4-aminobenzoyl)oxybenzoate has a molecular weight of 271.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminobenzoyl)oxybenzoate is sourced from PubChem (CID 3031786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).