4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid

C16H14N2O5 — CID 23971573

IUPAC4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid
SMILESNc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H14N2O5/c17-12-5-1-11(2-6-12)16(22)23-9-14(19)18-13-7-3-10(4-8-13)15(20)21/h1-8H,9,17H2,(H,18,19)(H,20,21)
InChIKeyCIWXHCRSSLQNCB-UHFFFAOYSA-N
MW314.30 g/mol
LogP1.76
Rot. Bonds5

About 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid

4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid (PubChem CID 23971573) has the molecular formula C16H14N2O5 and a molecular weight of 314.30 g/mol. Its IUPAC name is 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid
PubChem CID23971573
Molecular FormulaC16H14N2O5
Molecular Weight314.30 g/mol
Exact Mass314.09
IUPAC Name4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid
SMILESNc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C16H14N2O5/c17-12-5-1-11(2-6-12)16(22)23-9-14(19)18-13-7-3-10(4-8-13)15(20)21/h1-8H,9,17H2,(H,18,19)(H,20,21)
InChIKeyCIWXHCRSSLQNCB-UHFFFAOYSA-N
XLogP1.76
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(4-aminobenzoyl)oxyacetyl]amino]-2-chlorobenzoic acid
CID 23887618
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 4-aminobenzoate
CID 7781322
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781225
[2-oxo-2-(4-phenoxyanilino)ethyl] 4-phenoxybenzoate
CID 17259515
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 4-aminobenzoate
CID 23859785
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-aminobenzoate
CID 7781191
4-[2-(4-ethoxycarbonylanilino)-2-oxoethoxy]benzoic acid
CID 99989606
(2-anilino-2-oxoethyl) 4-iodobenzoate
CID 2505448
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 7749602
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-(4-fluoroanilino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606526

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid (CID 23971573) is 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid is Nc1ccc(C(=O)OCC(=O)Nc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid?
The InChIKey is CIWXHCRSSLQNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O5/c17-12-5-1-11(2-6-12)16(22)23-9-14(19)18-13-7-3-10(4-8-13)15(20)21/h1-8H,9,17H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid?
4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid has a molecular weight of 314.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-aminobenzoyl)oxyacetyl]amino]benzoic acid is sourced from PubChem (CID 23971573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).