3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione

C25H40N4O4 — CID 10928641

IUPAC3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
SMILESCC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C25H40N4O4/c1-25(2,17-21(30)28-15-7-9-19(28)23(32)26-11-3-4-12-26)18-22(31)29-16-8-10-20(29)24(33)27-13-5-6-14-27/h19-20H,3-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyPWQSIRGIHITFJQ-PMACEKPBSA-N
MW460.62 g/mol
LogP2.02
Rot. Bonds6

About 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione

3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione (PubChem CID 10928641) has the molecular formula C25H40N4O4 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
PubChem CID10928641
Molecular FormulaC25H40N4O4
Molecular Weight460.62 g/mol
Exact Mass460.30
IUPAC Name3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
SMILESCC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C25H40N4O4/c1-25(2,17-21(30)28-15-7-9-19(28)23(32)26-11-3-4-12-26)18-22(31)29-16-8-10-20(29)24(33)27-13-5-6-14-27/h19-20H,3-18H2,1-2H3/t19-,20-/m0/s1
InChIKeyPWQSIRGIHITFJQ-PMACEKPBSA-N
XLogP2.02
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione with MolForge

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Related Compounds

(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 10861156
(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 95332251
1-[2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119415727
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
(2S)-1-[(2S)-1-[5-[(2S)-2-(cyclopentanecarbonyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 10863838
1-[2-[(3R)-3-aminopyrrolidine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 119410683
3,3-dimethyl-1-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119544158
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
3,3,3-trifluoro-1-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 97005212
1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 119594164

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione?
The IUPAC name of 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione (CID 10928641) is 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione.
What is the SMILES notation for 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione?
The canonical SMILES for 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione is CC(C)(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)CC(=O)N1CCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione?
The InChIKey is PWQSIRGIHITFJQ-PMACEKPBSA-N. The full InChI is InChI=1S/C25H40N4O4/c1-25(2,17-21(30)28-15-7-9-19(28)23(32)26-11-3-4-12-26)18-22(31)29-16-8-10-20(29)24(33)27-13-5-6-14-27/h19-20H,3-18H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione?
3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione has a molecular weight of 460.62 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione is sourced from PubChem (CID 10928641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).