methyl 2-(2-aminobenzoyl)benzoate

C15H13NO3 — CID 83381352

IUPACmethyl 2-(2-aminobenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1ccccc1N
InChIInChI=1S/C15H13NO3/c1-19-15(18)11-7-3-2-6-10(11)14(17)12-8-4-5-9-13(12)16/h2-9H,16H2,1H3
InChIKeyRQANCULQLTZLJT-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.29
Rot. Bonds3

About methyl 2-(2-aminobenzoyl)benzoate

methyl 2-(2-aminobenzoyl)benzoate (PubChem CID 83381352) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 2-(2-aminobenzoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-aminobenzoyl)benzoate
PubChem CID83381352
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-(2-aminobenzoyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)c1ccccc1N
InChIInChI=1S/C15H13NO3/c1-19-15(18)11-7-3-2-6-10(11)14(17)12-8-4-5-9-13(12)16/h2-9H,16H2,1H3
InChIKeyRQANCULQLTZLJT-UHFFFAOYSA-N
XLogP2.29
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
hydrogen sulfite;methyl 2-aminobenzoate
CID 175096987
dimethyl 3-aminobenzene-1,2-dicarboxylate
CID 13399384
4-aminobenzoic acid;methyl 2-aminobenzoate
CID 174874321
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
methyl 2-aminobenzoate;propan-2-ylsulfamic acid
CID 175033943
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
methyl 2-(2,2-dibromo-1-methoxyethenyl)benzoate
CID 134891801
methyl 2-(2,4-diaminophenyl)sulfanylbenzoate
CID 5298639
ethane;methyl 3-amino-2-(methylamino)benzoate
CID 144759892
methyl 3-amino-2-(hydroxymethyl)benzoate
CID 131624534

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-aminobenzoyl)benzoate?
The IUPAC name of methyl 2-(2-aminobenzoyl)benzoate (CID 83381352) is methyl 2-(2-aminobenzoyl)benzoate.
What is the SMILES notation for methyl 2-(2-aminobenzoyl)benzoate?
The canonical SMILES for methyl 2-(2-aminobenzoyl)benzoate is COC(=O)c1ccccc1C(=O)c1ccccc1N.
What is the InChIKey of methyl 2-(2-aminobenzoyl)benzoate?
The InChIKey is RQANCULQLTZLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-19-15(18)11-7-3-2-6-10(11)14(17)12-8-4-5-9-13(12)16/h2-9H,16H2,1H3.
What are the key properties of methyl 2-(2-aminobenzoyl)benzoate?
methyl 2-(2-aminobenzoyl)benzoate has a molecular weight of 255.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-aminobenzoyl)benzoate is sourced from PubChem (CID 83381352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).