(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C13H19N3O5 — CID 119371588

IUPAC(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCN1CCN(CC(=O)N2CCC[C@@H]2C(=O)O)C(=O)C1=O
InChIInChI=1S/C13H19N3O5/c1-2-14-6-7-15(12(19)11(14)18)8-10(17)16-5-3-4-9(16)13(20)21/h9H,2-8H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyHAYBMDFLLVASJZ-SECBINFHSA-N
MW297.31 g/mol
LogP-1.25
Rot. Bonds4

About (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371588) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID119371588
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCCN1CCN(CC(=O)N2CCC[C@@H]2C(=O)O)C(=O)C1=O
InChIInChI=1S/C13H19N3O5/c1-2-14-6-7-15(12(19)11(14)18)8-10(17)16-5-3-4-9(16)13(20)21/h9H,2-8H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyHAYBMDFLLVASJZ-SECBINFHSA-N
XLogP-1.25
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]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

(2R)-1-[2-(2-oxoazocan-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371463
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
1-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 22717280
1-(2-piperidin-1-ylacetyl)pyrrolidine-2-carboxylic acid
CID 82041542
1-(3-oxopentanoyl)pyrrolidine-2-carboxylic acid
CID 59676020
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
(2R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 78922024
1-ethyl-4-[2-(2-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,3-dione
CID 119472577
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 68940110
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 119371588) is (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is CCN1CCN(CC(=O)N2CCC[C@@H]2C(=O)O)C(=O)C1=O.
What is the InChIKey of (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HAYBMDFLLVASJZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-2-14-6-7-15(12(19)11(14)18)8-10(17)16-5-3-4-9(16)13(20)21/h9H,2-8H2,1H3,(H,20,21)/t9-/m1/s1.
What are the key properties of (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.31 g/mol, XLogP of -1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).