2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide

C11H15N3O5 — CID 134572237

IUPAC2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCO
InChIInChI=1S/C11H15N3O5/c1-7(11(19)12-4-5-15)13-8(16)6-14-9(17)2-3-10(14)18/h2-3,7,15H,4-6H2,1H3,(H,12,19)(H,13,16)
InChIKeyZLIKECZDLULGAU-UHFFFAOYSA-N
MW269.26 g/mol
LogP-2.48
Rot. Bonds6

About 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide

2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide (PubChem CID 134572237) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide
PubChem CID134572237
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide
SMILESCC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCO
InChIInChI=1S/C11H15N3O5/c1-7(11(19)12-4-5-15)13-8(16)6-14-9(17)2-3-10(14)18/h2-3,7,15H,4-6H2,1H3,(H,12,19)(H,13,16)
InChIKeyZLIKECZDLULGAU-UHFFFAOYSA-N
XLogP-2.48
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-2.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Hydroxyethyl)-3-(2-hydroxyethylamino)pyrrole-2,5-dione
CID 4531075
2-(2,5-dioxopyrrol-1-yl)-N-[3-[2-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-hydroxypropyl]propanamide
CID 19108184
2-(2,5-dioxopyrrol-1-yl)-N-(1-ethoxyethyl)propanamide
CID 58340890
2-(2,5-dioxopyrrol-1-yl)-N-propan-2-ylpropanamide
CID 58493132
2-(2,5-dioxopyrrol-1-yl)-N-propylpropanamide
CID 58493176
3-acetamido-2,4-bis(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)butanamide
CID 60055831
2-(2,5-dioxopyrrol-1-yl)-N-ethylpropanamide
CID 60975184
2-(2,5-dioxopyrrol-1-yl)-N-methylpropanamide
CID 61464858
2-(2,5-dioxopyrrol-1-yl)-N-(1-methoxyethyl)propanamide
CID 68018033
3-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)propanamide
CID 68404499
3-(2,5-dioxopyrrol-1-yl)-N-[2-oxo-2-[[(2S)-1-oxopropan-2-yl]amino]ethyl]propanamide
CID 89343202
3-(2,5-dioxopyrrol-1-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 89502739

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide (CID 134572237) is 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide is CC(NC(=O)CN1C(=O)C=CC1=O)C(=O)NCCO.
What is the InChIKey of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
The InChIKey is ZLIKECZDLULGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(11(19)12-4-5-15)13-8(16)6-14-9(17)2-3-10(14)18/h2-3,7,15H,4-6H2,1H3,(H,12,19)(H,13,16).
What are the key properties of 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide?
2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide has a molecular weight of 269.26 g/mol, XLogP of -2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 134572237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).