[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium

C32H32N2O6P+ — CID 59032337

IUPAC[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
SMILESCc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CCC([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1
InChIInChI=1S/C32H32N2O6P/c1-23-28(40-32(37)39-23)22-38-31(36)33-19-17-24(21-33)34-20-18-29(30(34)35)41(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,24,29H,17-22H2,1H3/q+1/t24-,29?/m1/s1
InChIKeyINBSSSRWVKREPR-OEXUWWALSA-N
MW571.59 g/mol
LogP3.85
Rot. Bonds7

About [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium

[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium (PubChem CID 59032337) has the molecular formula C32H32N2O6P+ and a molecular weight of 571.59 g/mol. Its IUPAC name is [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
PubChem CID59032337
Molecular FormulaC32H32N2O6P+
Molecular Weight571.59 g/mol
Exact Mass571.20
IUPAC Name[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
SMILESCc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CCC([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1
InChIInChI=1S/C32H32N2O6P/c1-23-28(40-32(37)39-23)22-38-31(36)33-19-17-24(21-33)34-20-18-29(30(34)35)41(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,24,29H,17-22H2,1H3/q+1/t24-,29?/m1/s1
InChIKeyINBSSSRWVKREPR-OEXUWWALSA-N
XLogP3.85
TPSA93.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.59
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl (3R)-3-[3-[bromo(triphenyl)-lambda5-phosphanyl]-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 15839926
[2-oxo-1-[(3R)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 86657520
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (3R)-3-[(3S)-3-[bromo(triphenyl)-lambda5-phosphanyl]-2-oxopyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 12993647
[(3S)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18394662
[(3S)-1-[(5S)-5-(dimethylcarbamoyl)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18394665
[2-Oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18680060
[2-Oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
CID 18680061
[(3R)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium bromide
CID 18739443
[(3R)-2-oxo-1-(1-prop-2-enoxycarbonylpyrrolidin-3-yl)pyrrolidin-3-yl]-triphenylphosphanium
CID 18739444
[1-[1,2-Bis(prop-2-enoxycarbonyl)pyrazolidin-4-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium bromide
CID 19610179
[(3R)-1-[1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 87498071
[(3S)-1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium
CID 87498073

Frequently Asked Questions

What is the IUPAC name of [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
The IUPAC name of [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium (CID 59032337) is [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium.
What is the SMILES notation for [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
The canonical SMILES for [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium is Cc1oc(=O)oc1COC(=O)N1CC[C@@H](N2CCC([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)C1.
What is the InChIKey of [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
The InChIKey is INBSSSRWVKREPR-OEXUWWALSA-N. The full InChI is InChI=1S/C32H32N2O6P/c1-23-28(40-32(37)39-23)22-38-31(36)33-19-17-24(21-33)34-20-18-29(30(34)35)41(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,24,29H,17-22H2,1H3/q+1/t24-,29?/m1/s1.
What are the key properties of [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium?
[1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium has a molecular weight of 571.59 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3R)-1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl]pyrrolidin-3-yl]-2-oxopyrrolidin-3-yl]-triphenylphosphanium is sourced from PubChem (CID 59032337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).