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

C9H14N2O4 — CID 17034937

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCO
InChIInChI=1S/C9H14N2O4/c12-6-4-10-7(13)3-5-11-8(14)1-2-9(11)15/h12H,1-6H2,(H,10,13)
InChIKeyHWWVOUWBWGBYMV-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.37
Rot. Bonds5

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

3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide (PubChem CID 17034937) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide
PubChem CID17034937
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCO
InChIInChI=1S/C9H14N2O4/c12-6-4-10-7(13)3-5-11-8(14)1-2-9(11)15/h12H,1-6H2,(H,10,13)
InChIKeyHWWVOUWBWGBYMV-UHFFFAOYSA-N
XLogP-1.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 231264
CID 231264
CID 16795444
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CID 28408742
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CID 43419594
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CID 83191903
CID 83191903
CID 103723121
CID 103723121
CID 104857888
CID 104857888
CID 107483899
CID 107483899
CID 113258580
CID 113258580
CID 162092900
CID 162092900
CID 18921424
CID 18921424
CID 20689596
CID 20689596

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide (CID 17034937) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide is O=C(CCN1C(=O)CCC1=O)NCCO.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is HWWVOUWBWGBYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c12-6-4-10-7(13)3-5-11-8(14)1-2-9(11)15/h12H,1-6H2,(H,10,13).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 214.22 g/mol, XLogP of -1.37, 5 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-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 17034937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).