1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid

C11H16N2O4 — CID 55151751

IUPAC1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C11H16N2O4/c14-9-1-2-10(15)13(9)6-5-12-4-3-8(7-12)11(16)17/h8H,1-7H2,(H,16,17)
InChIKeyYKMNRYNLBIHOMF-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.46
Rot. Bonds4

About 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid

1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 55151751) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID55151751
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CCN2C(=O)CCC2=O)C1
InChIInChI=1S/C11H16N2O4/c14-9-1-2-10(15)13(9)6-5-12-4-3-8(7-12)11(16)17/h8H,1-7H2,(H,16,17)
InChIKeyYKMNRYNLBIHOMF-UHFFFAOYSA-N
XLogP-0.46
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylic acid
CID 121473496
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
1-(2-acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
1-[2-(4-aminopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 43556667
1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566121
1-[2-(3,4-dihydroxypyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 106671986
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
1-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]pyrrolidine-2,5-dione
CID 81491366
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-4-methylpiperidine-4-carboxylic acid
CID 55178150
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422
1-(2-oxopropyl)pyrrolidine-3-carboxylic acid
CID 121200178
1-(3-pyrrol-1-ylpropyl)pyrrolidine-3-carboxylic acid
CID 67087121

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid (CID 55151751) is 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CCN2C(=O)CCC2=O)C1.
What is the InChIKey of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is YKMNRYNLBIHOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c14-9-1-2-10(15)13(9)6-5-12-4-3-8(7-12)11(16)17/h8H,1-7H2,(H,16,17).
What are the key properties of 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid?
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55151751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).