1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C10H13N3O5 — CID 66062800

IUPAC1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C1CN(C(=O)N2CCCC2C(=O)O)CC(=O)N1
InChIInChI=1S/C10H13N3O5/c14-7-4-12(5-8(15)11-7)10(18)13-3-1-2-6(13)9(16)17/h6H,1-5H2,(H,16,17)(H,11,14,15)
InChIKeyOUGJMMAKYVMCKY-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.39
Rot. Bonds1

About 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 66062800) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID66062800
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C1CN(C(=O)N2CCCC2C(=O)O)CC(=O)N1
InChIInChI=1S/C10H13N3O5/c14-7-4-12(5-8(15)11-7)10(18)13-3-1-2-6(13)9(16)17/h6H,1-5H2,(H,16,17)(H,11,14,15)
InChIKeyOUGJMMAKYVMCKY-UHFFFAOYSA-N
XLogP-1.39
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic 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

(2S)-1-(pyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 28509820
1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61405416
(2R)-1-(1-oxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922708
1-(pyrrolidine-1-carbonyl)azocane-2-carboxylic acid
CID 114239747
1-(3,5-dioxopiperazine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744401
1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187506
(2R)-1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 55150786
1-(4-methylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63627584
2-(3,5-dioxopiperazine-1-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102890415
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 65319939
(2S)-1-(2,2-dimethyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946615
(2R)-1-(4-methoxypiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922853

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 66062800) is 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is O=C1CN(C(=O)N2CCCC2C(=O)O)CC(=O)N1.
What is the InChIKey of 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OUGJMMAKYVMCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c14-7-4-12(5-8(15)11-7)10(18)13-3-1-2-6(13)9(16)17/h6H,1-5H2,(H,16,17)(H,11,14,15).
What are the key properties of 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 66062800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).