2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid

C11H11N3O5S — CID 66073512

IUPAC2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H11N3O5S/c1-5-8(16)12-7(15)4-14(5)11(19)13-9-6(10(17)18)2-3-20-9/h2-3,5H,4H2,1H3,(H,13,19)(H,17,18)(H,12,15,16)
InChIKeyNVFLNOLNUKCJAU-UHFFFAOYSA-N
MW297.29 g/mol
LogP0.33
Rot. Bonds2

About 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid

2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 66073512) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID66073512
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H11N3O5S/c1-5-8(16)12-7(15)4-14(5)11(19)13-9-6(10(17)18)2-3-20-9/h2-3,5H,4H2,1H3,(H,13,19)(H,17,18)(H,12,15,16)
InChIKeyNVFLNOLNUKCJAU-UHFFFAOYSA-N
XLogP0.33
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 66069555
N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
CID 66061213
2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 114594297
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
N-[4-(1-hydroxyethyl)phenyl]-2-methyl-3,5-dioxopiperazine-1-carboxamide
CID 66075663
2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 107223804
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821
2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 66475692
2-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 102744842
2-[(2-methylmorpholine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63113580
2-[(4-methylazepane-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63627404
2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 63113917

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid (CID 66073512) is 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid is CC1C(=O)NC(=O)CN1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is NVFLNOLNUKCJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5S/c1-5-8(16)12-7(15)4-14(5)11(19)13-9-6(10(17)18)2-3-20-9/h2-3,5H,4H2,1H3,(H,13,19)(H,17,18)(H,12,15,16).
What are the key properties of 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid?
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 297.29 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 66073512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).