3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide

C10H16N2O4 — CID 43417725

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCCO
InChIInChI=1S/C10H16N2O4/c13-7-1-5-11-8(14)4-6-12-9(15)2-3-10(12)16/h13H,1-7H2,(H,11,14)
InChIKeyFNTGZKJRFMQUJS-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.98
Rot. Bonds6

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide (PubChem CID 43417725) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide
PubChem CID43417725
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCCO
InChIInChI=1S/C10H16N2O4/c13-7-1-5-11-8(14)4-6-12-9(15)2-3-10(12)16/h13H,1-7H2,(H,11,14)
InChIKeyFNTGZKJRFMQUJS-UHFFFAOYSA-N
XLogP-0.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide (CID 43417725) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide is O=C(CCN1C(=O)CCC1=O)NCCCO.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide?
The InChIKey is FNTGZKJRFMQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-7-1-5-11-8(14)4-6-12-9(15)2-3-10(12)16/h13H,1-7H2,(H,11,14).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide has a molecular weight of 228.25 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 43417725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).