2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide

C10H15N3O5 — CID 20693305

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide
SMILESNC(=O)C(CC(=O)NCCO)N1C(=O)CCC1=O
InChIInChI=1S/C10H15N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h6,14H,1-5H2,(H2,11,18)(H,12,15)
InChIKeyTUEOTPSLGQJZLT-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.51
Rot. Bonds6

About 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide

2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide (PubChem CID 20693305) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide
PubChem CID20693305
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide
SMILESNC(=O)C(CC(=O)NCCO)N1C(=O)CCC1=O
InChIInChI=1S/C10H15N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h6,14H,1-5H2,(H2,11,18)(H,12,15)
InChIKeyTUEOTPSLGQJZLT-UHFFFAOYSA-N
XLogP-2.51
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide (CID 20693305) is 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide is NC(=O)C(CC(=O)NCCO)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide?
The InChIKey is TUEOTPSLGQJZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h6,14H,1-5H2,(H2,11,18)(H,12,15).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide?
2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide has a molecular weight of 257.25 g/mol, XLogP of -2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N'-(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 20693305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).