3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

C25H46N2O4 — CID 140895401

IUPAC3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
SMILESCCC(CCOC(=O)C1CC(C)(C)N(C)C1(C)C)OC(=O)C1CC(C)(C)N(C)C1(C)C
InChIInChI=1S/C25H46N2O4/c1-12-17(31-21(29)19-16-23(4,5)27(11)25(19,8)9)13-14-30-20(28)18-15-22(2,3)26(10)24(18,6)7/h17-19H,12-16H2,1-11H3
InChIKeyIAIFVLKQXLWMMU-UHFFFAOYSA-N
MW438.65 g/mol
LogP4.26
Rot. Bonds7

About 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate

3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (PubChem CID 140895401) has the molecular formula C25H46N2O4 and a molecular weight of 438.65 g/mol. Its IUPAC name is 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
PubChem CID140895401
Molecular FormulaC25H46N2O4
Molecular Weight438.65 g/mol
Exact Mass438.35
IUPAC Name3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
SMILESCCC(CCOC(=O)C1CC(C)(C)N(C)C1(C)C)OC(=O)C1CC(C)(C)N(C)C1(C)C
InChIInChI=1S/C25H46N2O4/c1-12-17(31-21(29)19-16-23(4,5)27(11)25(19,8)9)13-14-30-20(28)18-15-22(2,3)26(10)24(18,6)7/h17-19H,12-16H2,1-11H3
InChIKeyIAIFVLKQXLWMMU-UHFFFAOYSA-N
XLogP4.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.65
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypentyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895387
6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895409
8-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxyoctyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724292
3-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxypropyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138723925
6-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 138723933
[4-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 140895326
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397
[4-[4-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxycyclohexyl]cyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxycyclohexyl] 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-[4-[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl]cyclohexyl]cyclohexyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;2-[4-[2-(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyethyl]cyclohexyl]ethyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate;[4-[(2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 160998933
[4-(4-methylphenoxy)carbonylcyclohexyl]methyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate
CID 138724194
butyl 2,2-dimethylcyclopropane-1-carboxylate
CID 12505854
[(3R)-3-[(2R)-2-methylbutanoyl]oxypentyl] (2R)-2-methylbutanoate
CID 98854584
3-acetyloxypentyl butanoate
CID 57301002

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The IUPAC name of 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate (CID 140895401) is 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate.
What is the SMILES notation for 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The canonical SMILES for 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is CCC(CCOC(=O)C1CC(C)(C)N(C)C1(C)C)OC(=O)C1CC(C)(C)N(C)C1(C)C.
What is the InChIKey of 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
The InChIKey is IAIFVLKQXLWMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N2O4/c1-12-17(31-21(29)19-16-23(4,5)27(11)25(19,8)9)13-14-30-20(28)18-15-22(2,3)26(10)24(18,6)7/h17-19H,12-16H2,1-11H3.
What are the key properties of 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate?
3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate has a molecular weight of 438.65 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,5,5-pentamethylpyrrolidine-3-carbonyl)oxypentyl 1,2,2,5,5-pentamethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 140895401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).