2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid

C12H18N2O4 — CID 61370523

IUPAC2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c15-10-3-4-11(16)14(10)7-6-13-5-1-2-9(13)8-12(17)18/h9H,1-8H2,(H,17,18)
InChIKeyOKBYBMYXGVOANM-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.07
Rot. Bonds5

About 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370523) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370523
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1CCN1C(=O)CCC1=O
InChIInChI=1S/C12H18N2O4/c15-10-3-4-11(16)14(10)7-6-13-5-1-2-9(13)8-12(17)18/h9H,1-8H2,(H,17,18)
InChIKeyOKBYBMYXGVOANM-UHFFFAOYSA-N
XLogP0.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.07
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

methyl 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 62027718
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperidin-3-yl]acetic acid
CID 55105432
2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]acetic acid
CID 54960865
2-[1-(3-fluoropropyl)piperidin-2-yl]acetic acid
CID 81113634
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-2-yl]acetic acid
CID 62325216
2-(1-prop-2-enylpyrrolidin-2-yl)acetic acid
CID 61371898
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
methyl 2-[1-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]acetate
CID 61363381
2-[1-(3-imidazol-1-ylpropyl)pyrrolidin-2-yl]acetic acid
CID 54960885
2-[1-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-yl]acetic acid
CID 106454643
2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid
CID 61371702

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid (CID 61370523) is 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1CCN1C(=O)CCC1=O.
What is the InChIKey of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is OKBYBMYXGVOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-3-4-11(16)14(10)7-6-13-5-1-2-9(13)8-12(17)18/h9H,1-8H2,(H,17,18).
What are the key properties of 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).