methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate

C17H15NO6 — CID 2431988

IUPACmethyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C17H15NO6/c1-23-17(22)13-7-2-3-8-14(13)18-15(20)10-24-16(21)11-5-4-6-12(19)9-11/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyBOWLKAQHLGEPMY-UHFFFAOYSA-N
MW329.31 g/mol
LogP1.97
Rot. Bonds5

About methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate

methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate (PubChem CID 2431988) has the molecular formula C17H15NO6 and a molecular weight of 329.31 g/mol. Its IUPAC name is methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
PubChem CID2431988
Molecular FormulaC17H15NO6
Molecular Weight329.31 g/mol
Exact Mass329.09
IUPAC Namemethyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(O)c1
InChIInChI=1S/C17H15NO6/c1-23-17(22)13-7-2-3-8-14(13)18-15(20)10-24-16(21)11-5-4-6-12(19)9-11/h2-9,19H,10H2,1H3,(H,18,20)
InChIKeyBOWLKAQHLGEPMY-UHFFFAOYSA-N
XLogP1.97
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(2-ethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 7483736
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563639
methyl 2-[[2-[3-(difluoromethoxy)benzoyl]oxyacetyl]amino]benzoate
CID 2512926
[2-(2-chloroanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628238
methyl 2-[[2-(4-chlorobenzoyl)oxyacetyl]amino]benzoate
CID 2629462
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628830
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,6-difluorobenzoate
CID 2515672
methyl 2-[[2-(4-methylsulfonylbenzoyl)oxyacetyl]amino]benzoate
CID 2668483
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,3,4,5,6-pentamethylbenzoate
CID 7235533
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628902
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628190

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate (CID 2431988) is methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(O)c1.
What is the InChIKey of methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate?
The InChIKey is BOWLKAQHLGEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO6/c1-23-17(22)13-7-2-3-8-14(13)18-15(20)10-24-16(21)11-5-4-6-12(19)9-11/h2-9,19H,10H2,1H3,(H,18,20).
What are the key properties of methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate?
methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate has a molecular weight of 329.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-hydroxybenzoyl)oxyacetyl]amino]benzoate is sourced from PubChem (CID 2431988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).