1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate

C23H38N2O6 — CID 121247806

IUPAC1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate
SMILESCCC(C(C(=O)OC)C(C(=O)OCC(C)C)C(CC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C23H38N2O6/c1-6-16(24-12-8-10-18(24)26)20(22(28)30-5)21(23(29)31-14-15(3)4)17(7-2)25-13-9-11-19(25)27/h15-17,20-21H,6-14H2,1-5H3
InChIKeySTLPXVHUTHDQSU-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.39
Rot. Bonds11

About 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate

1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate (PubChem CID 121247806) has the molecular formula C23H38N2O6 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate.

Molecular Properties

Compound Name1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate
PubChem CID121247806
Molecular FormulaC23H38N2O6
Molecular Weight438.57 g/mol
Exact Mass438.27
IUPAC Name1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate
SMILESCCC(C(C(=O)OC)C(C(=O)OCC(C)C)C(CC)N1CCCC1=O)N1CCCC1=O
InChIInChI=1S/C23H38N2O6/c1-6-16(24-12-8-10-18(24)26)20(22(28)30-5)21(23(29)31-14-15(3)4)17(7-2)25-13-9-11-19(25)27/h15-17,20-21H,6-14H2,1-5H3
InChIKeySTLPXVHUTHDQSU-UHFFFAOYSA-N
XLogP2.39
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
methyl 4-[3-(dimethylamino)-3-oxopropyl]sulfanyl-2-methyl-3-(2-oxopyrrolidin-1-yl)butanoate
CID 134509326
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
1-(1-aminobutan-2-yl)pyrrolidin-2-one
CID 15788316
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
1-[1-[2-(2-oxopyrrolidin-1-yl)butylamino]butan-2-yl]pyrrolidin-2-one
CID 173130930
ethenyl 2-(2-oxopyrrolidin-1-yl)propyl carbonate
CID 22436158

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate?
The IUPAC name of 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate (CID 121247806) is 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate.
What is the SMILES notation for 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate?
The canonical SMILES for 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate is CCC(C(C(=O)OC)C(C(=O)OCC(C)C)C(CC)N1CCCC1=O)N1CCCC1=O.
What is the InChIKey of 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate?
The InChIKey is STLPXVHUTHDQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O6/c1-6-16(24-12-8-10-18(24)26)20(22(28)30-5)21(23(29)31-14-15(3)4)17(7-2)25-13-9-11-19(25)27/h15-17,20-21H,6-14H2,1-5H3.
What are the key properties of 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate?
1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate has a molecular weight of 438.57 g/mol, XLogP of 2.39, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate is sourced from PubChem (CID 121247806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).