5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid

C13H15N3O5 — CID 24705583

IUPAC5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid
SMILESCC(=O)NCC(=O)Nc1ccc(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C13H15N3O5/c1-7(17)14-6-12(19)16-11-4-3-9(15-8(2)18)5-10(11)13(20)21/h3-5H,6H2,1-2H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)
InChIKeyGOXPQSBCDZFODL-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.42
Rot. Bonds5

About 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid

5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid (PubChem CID 24705583) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid.

Molecular Properties

Compound Name5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid
PubChem CID24705583
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid
SMILESCC(=O)NCC(=O)Nc1ccc(NC(C)=O)cc1C(=O)O
InChIInChI=1S/C13H15N3O5/c1-7(17)14-6-12(19)16-11-4-3-9(15-8(2)18)5-10(11)13(20)21/h3-5H,6H2,1-2H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21)
InChIKeyGOXPQSBCDZFODL-UHFFFAOYSA-N
XLogP0.42
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-acetamido-2-[(2-acetamidoacetyl)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

5-[(2-acetamidoacetyl)amino]-2-methylbenzoic acid
CID 63653680
5-acetamido-2-(but-3-ynoylamino)benzoic acid
CID 114028463
3-[(2-acetamidoacetyl)amino]naphthalene-2-carboxylic acid
CID 24702381
5-acetamido-2-[3-(ethylamino)propanoylamino]benzoic acid
CID 62836110
5-acetamido-2-[3-(methyldisulfanyl)propanoylamino]benzoic acid
CID 20813442
5-acetamido-2-(prop-2-enoylamino)benzoic acid
CID 24696899
5-acetamido-2-(2-methylsulfanylethylcarbamoylamino)benzoic acid
CID 63957483
5-acetamido-2-(ethylsulfamoylamino)benzoic acid
CID 114805338
2-acetamido-5-(phenylcarbamoylamino)benzoic acid
CID 3020564
5-acetamido-2-[2-(methylamino)propanoylamino]benzoic acid
CID 62638607
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990
5-acetamido-2-[[(2S)-2-amino-3-methylbutanoyl]amino]benzoic acid
CID 61157962

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid?
The IUPAC name of 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid (CID 24705583) is 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid.
What is the SMILES notation for 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid?
The canonical SMILES for 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid is CC(=O)NCC(=O)Nc1ccc(NC(C)=O)cc1C(=O)O.
What is the InChIKey of 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid?
The InChIKey is GOXPQSBCDZFODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-7(17)14-6-12(19)16-11-4-3-9(15-8(2)18)5-10(11)13(20)21/h3-5H,6H2,1-2H3,(H,14,17)(H,15,18)(H,16,19)(H,20,21).
What are the key properties of 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid?
5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid has a molecular weight of 293.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid is sourced from PubChem (CID 24705583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).