2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid

C9H12N4O4 — CID 121350328

IUPAC2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCCCC(N=[N+]=[N-])(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C9H12N4O4/c1-2-5-9(8(16)17,11-12-10)13-6(14)3-4-7(13)15/h2-5H2,1H3,(H,16,17)
InChIKeyQVSAUVQCSBCLCX-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.03
Rot. Bonds5

About 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid

2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid (PubChem CID 121350328) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid
PubChem CID121350328
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCCCC(N=[N+]=[N-])(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C9H12N4O4/c1-2-5-9(8(16)17,11-12-10)13-6(14)3-4-7(13)15/h2-5H2,1H3,(H,16,17)
InChIKeyQVSAUVQCSBCLCX-UHFFFAOYSA-N
XLogP1.03
TPSA123.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic 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-(2,5-dioxopyrrolidin-1-yl)-2-ethylbutanoic acid
CID 78969508
2,5-bis(2,5-dioxopyrrolidin-1-yl)hexane-1,2,5,6-tetracarboxylic acid
CID 67320218
1-(3-methylhexan-3-yl)pyrrolidine-2,5-dione
CID 134199523
1-[4-(dimethylamino)-5,5-dipropylnonan-4-yl]pyrrolidine-2,5-dione
CID 172762232
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxy-3-methylbutanoic acid
CID 68872247
propanoic acid;1-sulfanylpyrrolidine-2,5-dione
CID 175358439
2-(4-azido-2-nitroanilino)-2-(2,5-dioxopyrrolidin-1-yl)butanoic acid
CID 22630715
3-(2,7-dioxoazepan-1-yl)-3-methylbutanoic acid
CID 64700178
2-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 61036930
2-(2-azidoethylamino)-2-propylpentanoic acid
CID 66190985
carbonic acid;1-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
CID 52987775
1-bromopyrrolidine-2,5-dione;propan-2-one
CID 23350280

Frequently Asked Questions

What is the IUPAC name of 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid (CID 121350328) is 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid is CCCC(N=[N+]=[N-])(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is QVSAUVQCSBCLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-2-5-9(8(16)17,11-12-10)13-6(14)3-4-7(13)15/h2-5H2,1H3,(H,16,17).
What are the key properties of 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid?
2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid has a molecular weight of 240.22 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-2-(2,5-dioxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 121350328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).