7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C25H46N2O6 — CID 140895397

IUPAC7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)OCCCCCCCOC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O
InChIInChI=1S/C25H46N2O6/c1-22(2)16-18(24(5,6)26(22)30)20(28)32-14-12-10-9-11-13-15-33-21(29)19-17-23(3,4)27(31)25(19,7)8/h18-19,30-31H,9-17H2,1-8H3
InChIKeyTUPWDKRYPZSHLO-UHFFFAOYSA-N
MW470.65 g/mol
LogP4.56
Rot. Bonds10

About 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 140895397) has the molecular formula C25H46N2O6 and a molecular weight of 470.65 g/mol. Its IUPAC name is 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID140895397
Molecular FormulaC25H46N2O6
Molecular Weight470.65 g/mol
Exact Mass470.34
IUPAC Name7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)OCCCCCCCOC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O
InChIInChI=1S/C25H46N2O6/c1-22(2)16-18(24(5,6)26(22)30)20(28)32-14-12-10-9-11-13-15-33-21(29)19-17-23(3,4)27(31)25(19,7)8/h18-19,30-31H,9-17H2,1-8H3
InChIKeyTUPWDKRYPZSHLO-UHFFFAOYSA-N
XLogP4.56
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.65
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724292
6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895409
8-formyloxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate;2,2,3,5,5-pentamethylpyrrolidine
CID 145268523
3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypentyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895387
(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 173091347
3-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypropyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138723925
7-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138723922
butyl 2,2-dimethylcyclopropane-1-carboxylate
CID 12505854
N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 54113282
6-hydroxyhexyl N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)carbamate
CID 59426558
[3,5-bis[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxy]cyclohexyl] 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138724462

Frequently Asked Questions

What is the IUPAC name of 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 140895397) is 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CC1(C)CC(C(=O)OCCCCCCCOC(=O)C2CC(C)(C)N(O)C2(C)C)C(C)(C)N1O.
What is the InChIKey of 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is TUPWDKRYPZSHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O6/c1-22(2)16-18(24(5,6)26(22)30)20(28)32-14-12-10-9-11-13-15-33-21(29)19-17-23(3,4)27(31)25(19,7)8/h18-19,30-31H,9-17H2,1-8H3.
What are the key properties of 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 470.65 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 140895397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).