2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid

C17H12N2O6 — CID 2323494

IUPAC2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)C(=O)[C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C17H12N2O6/c20-12-6-5-8(7-10(12)17(24)25)18-16(23)14(21)13-9-3-1-2-4-11(9)19-15(13)22/h1-7,13,20H,(H,18,23)(H,19,22)(H,24,25)/t13-/m0/s1
InChIKeyBAXGOTAXORLENV-ZDUSSCGKSA-N
MW340.29 g/mol
LogP1.33
Rot. Bonds4

About 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid

2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid (PubChem CID 2323494) has the molecular formula C17H12N2O6 and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
PubChem CID2323494
Molecular FormulaC17H12N2O6
Molecular Weight340.29 g/mol
Exact Mass340.07
IUPAC Name2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid
SMILESO=C(Nc1ccc(O)c(C(=O)O)c1)C(=O)[C@H]1C(=O)Nc2ccccc21
InChIInChI=1S/C17H12N2O6/c20-12-6-5-8(7-10(12)17(24)25)18-16(23)14(21)13-9-3-1-2-4-11(9)19-15(13)22/h1-7,13,20H,(H,18,23)(H,19,22)(H,24,25)/t13-/m0/s1
InChIKeyBAXGOTAXORLENV-ZDUSSCGKSA-N
XLogP1.33
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic 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

N-(4-fluorophenyl)-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3331949
N-[4-(dimethylamino)phenyl]-2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 2311274
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetamide
CID 98430375
(2R)-2-[[2-oxo-2-[(3R)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]propanoic acid
CID 2321165
N-butyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 3698854
N-cyclohexyl-2-oxo-2-(2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 4245545
5-[(2,3-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 114343235
2-hydroxy-5-[(2-iodobenzoyl)amino]benzoic acid
CID 16773138
2-hydroxy-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61200541
N-[4-[[(2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]propanamide
CID 91350011
2-hydroxy-5-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192489

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid (CID 2323494) is 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid is O=C(Nc1ccc(O)c(C(=O)O)c1)C(=O)[C@H]1C(=O)Nc2ccccc21.
What is the InChIKey of 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid?
The InChIKey is BAXGOTAXORLENV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H12N2O6/c20-12-6-5-8(7-10(12)17(24)25)18-16(23)14(21)13-9-3-1-2-4-11(9)19-15(13)22/h1-7,13,20H,(H,18,23)(H,19,22)(H,24,25)/t13-/m0/s1.
What are the key properties of 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid?
2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid has a molecular weight of 340.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[2-oxo-2-[(3S)-2-oxo-1,3-dihydroindol-3-yl]acetyl]amino]benzoic acid is sourced from PubChem (CID 2323494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).