2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid

C6H11NO4 — CID 23110559

IUPAC2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid
SMILESO=C(OO)N1CCCC1CO
InChIInChI=1S/C6H11NO4/c8-4-5-2-1-3-7(5)6(9)11-10/h5,8,10H,1-4H2
InChIKeyGYWQRZFRGMMXOS-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.05
Rot. Bonds1

About 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid

2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid (PubChem CID 23110559) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid
PubChem CID23110559
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid
SMILESO=C(OO)N1CCCC1CO
InChIInChI=1S/C6H11NO4/c8-4-5-2-1-3-7(5)6(9)11-10/h5,8,10H,1-4H2
InChIKeyGYWQRZFRGMMXOS-UHFFFAOYSA-N
XLogP0.05
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iodo (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 70822306
2-hydroxyethyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 107877422
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
4-hydroxy-1-[2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 79191916
3-chloro-1-[2-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 61409554
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
2-bromo-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 63680489
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 14282319
2,2-diamino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 126732263
4-chloro-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 107216553
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-sulfanylbutan-1-one
CID 146330782

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid?
The IUPAC name of 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid (CID 23110559) is 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid.
What is the SMILES notation for 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid?
The canonical SMILES for 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid is O=C(OO)N1CCCC1CO.
What is the InChIKey of 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid?
The InChIKey is GYWQRZFRGMMXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-4-5-2-1-3-7(5)6(9)11-10/h5,8,10H,1-4H2.
What are the key properties of 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid?
2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid is sourced from PubChem (CID 23110559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).