2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid

C16H13NO6 — CID 22723938

IUPAC2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
SMILESCC(=O)Oc1ccccc1C(=O)Oc1cc(N)ccc1C(=O)O
InChIInChI=1S/C16H13NO6/c1-9(18)22-13-5-3-2-4-12(13)16(21)23-14-8-10(17)6-7-11(14)15(19)20/h2-8H,17H2,1H3,(H,19,20)
InChIKeyLNHMEABXXRZTJA-UHFFFAOYSA-N
MW315.28 g/mol
LogP2.11
Rot. Bonds4

About 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid

2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid (PubChem CID 22723938) has the molecular formula C16H13NO6 and a molecular weight of 315.28 g/mol. Its IUPAC name is 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid.

Molecular Properties

Compound Name2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
PubChem CID22723938
Molecular FormulaC16H13NO6
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid
SMILESCC(=O)Oc1ccccc1C(=O)Oc1cc(N)ccc1C(=O)O
InChIInChI=1S/C16H13NO6/c1-9(18)22-13-5-3-2-4-12(13)16(21)23-14-8-10(17)6-7-11(14)15(19)20/h2-8H,17H2,1H3,(H,19,20)
InChIKeyLNHMEABXXRZTJA-UHFFFAOYSA-N
XLogP2.11
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543
4-amino-2-(2-phenoxybenzoyl)oxybenzoic acid
CID 56607371
2-acetyloxy-5-aminobenzoic acid
CID 13140652
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
2-(2-acetyloxybenzoyl)oxybenzoic acid;1-chloropentane
CID 174970896
2-acetyloxybenzoic acid;(E)-but-2-enedioic acid
CID 135328306
2-acetyloxybenzoic acid;azane;ethanol;hydrate
CID 174981083
CID 67770189
CID 67770189
CID 67784645
CID 67784645

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid?
The IUPAC name of 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid (CID 22723938) is 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid.
What is the SMILES notation for 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid?
The canonical SMILES for 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid is CC(=O)Oc1ccccc1C(=O)Oc1cc(N)ccc1C(=O)O.
What is the InChIKey of 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid?
The InChIKey is LNHMEABXXRZTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO6/c1-9(18)22-13-5-3-2-4-12(13)16(21)23-14-8-10(17)6-7-11(14)15(19)20/h2-8H,17H2,1H3,(H,19,20).
What are the key properties of 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid?
2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid has a molecular weight of 315.28 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxybenzoyl)oxy-4-aminobenzoic acid is sourced from PubChem (CID 22723938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).