1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one

C6H12N2O3 — CID 124639194

IUPAC1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one
SMILESN[C@H](CN1CCCC1=O)OO
InChIInChI=1S/C6H12N2O3/c7-5(11-10)4-8-3-1-2-6(8)9/h5,10H,1-4,7H2/t5-/m0/s1
InChIKeyCFSUDSKBCLDKIX-YFKPBYRVSA-N
MW160.17 g/mol
LogP-0.62
Rot. Bonds3

About 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one

1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one (PubChem CID 124639194) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one
PubChem CID124639194
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one
SMILESN[C@H](CN1CCCC1=O)OO
InChIInChI=1S/C6H12N2O3/c7-5(11-10)4-8-3-1-2-6(8)9/h5,10H,1-4,7H2/t5-/m0/s1
InChIKeyCFSUDSKBCLDKIX-YFKPBYRVSA-N
XLogP-0.62
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 66167247
methyl 2-bromo-3-(2-oxopyrrolidin-1-yl)propanoate
CID 81091745
1-[2-hydroxy-2-[1-hydroxy-2-(2-oxoazepan-1-yl)ethoxy]ethyl]azepan-2-one
CID 165374398
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431
1-[(2-oxopyrrolidin-1-yl)methoxymethyl]pyrrolidin-2-one
CID 56986505
2-amino-3-methyl-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]pentanamide;hydrochloride
CID 119740547
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
1-[3-amino-2-(2-hydroxyphenyl)propyl]pyrrolidin-2-one
CID 105494553
1-(2-cyclopentyl-2-hydroxyethyl)azepan-2-one
CID 104753129

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one (CID 124639194) is 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one is N[C@H](CN1CCCC1=O)OO.
What is the InChIKey of 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one?
The InChIKey is CFSUDSKBCLDKIX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-5(11-10)4-8-3-1-2-6(8)9/h5,10H,1-4,7H2/t5-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one?
1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one has a molecular weight of 160.17 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-2-hydroperoxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 124639194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).