hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid

C5H11NO4 — CID 158114560

IUPAChydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.OO
InChIInChI=1S/C5H9NO2.H2O2/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H/t4-;/m0./s1
InChIKeyFQVMOPKNRUPOHK-WCCKRBBISA-N
MW149.15 g/mol
LogP-0.16
Rot. Bonds1

About hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid

hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 158114560) has the molecular formula C5H11NO4 and a molecular weight of 149.15 g/mol. Its IUPAC name is hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namehydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID158114560
Molecular FormulaC5H11NO4
Molecular Weight149.15 g/mol
Exact Mass149.07
IUPAC Namehydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.OO
InChIInChI=1S/C5H9NO2.H2O2/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H/t4-;/m0./s1
InChIKeyFQVMOPKNRUPOHK-WCCKRBBISA-N
XLogP-0.16
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
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

pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
CID 145362144
CID 145362144
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640

Frequently Asked Questions

What is the IUPAC name of hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid (CID 158114560) is hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1.OO.
What is the InChIKey of hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is FQVMOPKNRUPOHK-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.H2O2/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1-2H/t4-;/m0./s1.
What are the key properties of hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid?
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 149.15 g/mol, XLogP of -0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158114560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).