5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid

C17H16N2O7 — CID 53269993

IUPAC5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1N
InChIInChI=1S/C17H16N2O7/c1-25-14-5-2-9(6-12(14)18)17(24)26-8-15(21)19-10-3-4-13(20)11(7-10)16(22)23/h2-7,20H,8,18H2,1H3,(H,19,21)(H,22,23)
InChIKeyIZRCTFYVLBKOBC-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.48
Rot. Bonds6

About 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid

5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid (PubChem CID 53269993) has the molecular formula C17H16N2O7 and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid
PubChem CID53269993
Molecular FormulaC17H16N2O7
Molecular Weight360.32 g/mol
Exact Mass360.10
IUPAC Name5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid
SMILESCOc1ccc(C(=O)OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1N
InChIInChI=1S/C17H16N2O7/c1-25-14-5-2-9(6-12(14)18)17(24)26-8-15(21)19-10-3-4-13(20)11(7-10)16(22)23/h2-7,20H,8,18H2,1H3,(H,19,21)(H,22,23)
InChIKeyIZRCTFYVLBKOBC-UHFFFAOYSA-N
XLogP1.48
TPSA148.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53270028
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269931
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269984
[2-(3-methylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269959
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-amino-4-methoxybenzoate
CID 71863645
5-[(2-ethoxyacetyl)amino]-2-hydroxybenzoic acid
CID 28777069
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-ethylbenzoate
CID 2607173
5-[[2-(4-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoic acid
CID 23887618
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7814936
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859616
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702259

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid?
The IUPAC name of 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid (CID 53269993) is 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid?
The canonical SMILES for 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid is COc1ccc(C(=O)OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1N.
What is the InChIKey of 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid?
The InChIKey is IZRCTFYVLBKOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O7/c1-25-14-5-2-9(6-12(14)18)17(24)26-8-15(21)19-10-3-4-13(20)11(7-10)16(22)23/h2-7,20H,8,18H2,1H3,(H,19,21)(H,22,23).
What are the key properties of 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid?
5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid has a molecular weight of 360.32 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-amino-4-methoxybenzoyl)oxyacetyl]amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 53269993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).