3-(hydroxyamino)pyrrolidine-2,5-dione

C4H6N2O3 — CID 22569755

IUPAC3-(hydroxyamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NO)C(=O)N1
InChIInChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h2,6,9H,1H2,(H,5,7,8)
InChIKeyTZPRWZNNLUOTGE-UHFFFAOYSA-N
MW130.10 g/mol
LogP-1.62
Rot. Bonds1

About 3-(hydroxyamino)pyrrolidine-2,5-dione

3-(hydroxyamino)pyrrolidine-2,5-dione (PubChem CID 22569755) has the molecular formula C4H6N2O3 and a molecular weight of 130.10 g/mol. Its IUPAC name is 3-(hydroxyamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(hydroxyamino)pyrrolidine-2,5-dione
PubChem CID22569755
Molecular FormulaC4H6N2O3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Name3-(hydroxyamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NO)C(=O)N1
InChIInChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h2,6,9H,1H2,(H,5,7,8)
InChIKeyTZPRWZNNLUOTGE-UHFFFAOYSA-N
XLogP-1.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-1.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrrolidine-2,5-dione
CID 106189830
3-(cyclobutylamino)pyrrolidine-2,5-dione
CID 62416523
3-(3-bicyclo[3.1.0]hexanylamino)pyrrolidine-2,5-dione
CID 130899178
N-(2,5-dioxopyrrolidin-3-yl)-3-oxobutanamide
CID 110460593
3-(2-methylprop-2-enylamino)pyrrolidine-2,5-dione
CID 114616626
3-(cyclohexylamino)pyrrolidine-2,5-dione
CID 12550568
2-[(2,5-dioxopyrrolidin-3-yl)amino]propanamide
CID 43637912
N-(2,5-dioxopyrrolidin-3-yl)cyclohexanecarboxamide
CID 110462006
3-(5-hydroxypentylamino)pyrrolidine-2,5-dione
CID 107317317
3-(2-aminoethylamino)pyrrolidine-2,5-dione;dihydrochloride
CID 134691153

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(hydroxyamino)pyrrolidine-2,5-dione (CID 22569755) is 3-(hydroxyamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(hydroxyamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(hydroxyamino)pyrrolidine-2,5-dione is O=C1CC(NO)C(=O)N1.
What is the InChIKey of 3-(hydroxyamino)pyrrolidine-2,5-dione?
The InChIKey is TZPRWZNNLUOTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O3/c7-3-1-2(6-9)4(8)5-3/h2,6,9H,1H2,(H,5,7,8).
What are the key properties of 3-(hydroxyamino)pyrrolidine-2,5-dione?
3-(hydroxyamino)pyrrolidine-2,5-dione has a molecular weight of 130.10 g/mol, XLogP of -1.62, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 22569755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).