3-(3-oxoaziridin-2-yl)propanamide

C5H8N2O2 — CID 129164942

IUPAC3-(3-oxoaziridin-2-yl)propanamide
SMILESNC(=O)CCC1NC1=O
InChIInChI=1S/C5H8N2O2/c6-4(8)2-1-3-5(9)7-3/h3H,1-2H2,(H2,6,8)(H,7,9)
InChIKeyYAPMSXPQEUKBSH-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.25
Rot. Bonds3

About 3-(3-oxoaziridin-2-yl)propanamide

3-(3-oxoaziridin-2-yl)propanamide (PubChem CID 129164942) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 3-(3-oxoaziridin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-oxoaziridin-2-yl)propanamide
PubChem CID129164942
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name3-(3-oxoaziridin-2-yl)propanamide
SMILESNC(=O)CCC1NC1=O
InChIInChI=1S/C5H8N2O2/c6-4(8)2-1-3-5(9)7-3/h3H,1-2H2,(H2,6,8)(H,7,9)
InChIKeyYAPMSXPQEUKBSH-UHFFFAOYSA-N
XLogP-1.25
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[(2S,5S)-5-(2-amino-2-oxoethyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 102304528
3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanamide
CID 57400085
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanamide
CID 171116529
3-(3,5-dioxopyrrolidin-2-yl)propanamide
CID 122595656
3-[(4S)-2,5-dioxo-1,3-oxazolidin-4-yl]propanamide
CID 44593841
3-[(3R)-2-oxopyrrolidin-3-yl]propanamide
CID 167094318
3-[(2S,5S)-5-(4-aminobutyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 12071938
2-[(2S,5S)-5-(4-aminobutyl)-3,6-dioxopiperazin-2-yl]acetamide
CID 171116500
3-cyclopropylpropanamide
CID 53414720
3-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-8,11,17,26,29-pentakis(4-aminobutyl)-20-benzyl-5,14,23-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]propanamide
CID 23652653
3-[(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-5,8,14,17,29-pentakis(4-aminobutyl)-20-benzyl-11,23,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30-decaoxo-1,4,7,10,13,16,19,22,25,28-decazacyclotriacont-2-yl]propanamide
CID 23652500

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxoaziridin-2-yl)propanamide?
The IUPAC name of 3-(3-oxoaziridin-2-yl)propanamide (CID 129164942) is 3-(3-oxoaziridin-2-yl)propanamide.
What is the SMILES notation for 3-(3-oxoaziridin-2-yl)propanamide?
The canonical SMILES for 3-(3-oxoaziridin-2-yl)propanamide is NC(=O)CCC1NC1=O.
What is the InChIKey of 3-(3-oxoaziridin-2-yl)propanamide?
The InChIKey is YAPMSXPQEUKBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c6-4(8)2-1-3-5(9)7-3/h3H,1-2H2,(H2,6,8)(H,7,9).
What are the key properties of 3-(3-oxoaziridin-2-yl)propanamide?
3-(3-oxoaziridin-2-yl)propanamide has a molecular weight of 128.13 g/mol, XLogP of -1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxoaziridin-2-yl)propanamide is sourced from PubChem (CID 129164942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).