[1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate

C17H26N2O5 — CID 20749839

IUPAC[1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)C(C)(C)C
InChIInChI=1S/C17H26N2O5/c1-10(24-16(23)11-7-8-13(20)18-11)15(22)19-9-5-6-12(19)14(21)17(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,20)
InChIKeyFQMJAEAWURYUCP-UHFFFAOYSA-N
MW338.40 g/mol
LogP0.80
Rot. Bonds4

About [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate

[1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate (PubChem CID 20749839) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate
PubChem CID20749839
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name[1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate
SMILESCC(OC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)C(C)(C)C
InChIInChI=1S/C17H26N2O5/c1-10(24-16(23)11-7-8-13(20)18-11)15(22)19-9-5-6-12(19)14(21)17(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,20)
InChIKeyFQMJAEAWURYUCP-UHFFFAOYSA-N
XLogP0.80
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
CID 76615275
[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 162899358
(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 13306589
(2S)-N-[(2S)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 13312525
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
propan-2-yl (2R)-6-oxopiperidine-2-carboxylate
CID 131042024
(2R)-1-[(2R)-2-acetyloxypropanoyl]pyrrolidine-2-carboxylic acid
CID 178172655
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 81002762
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate (CID 20749839) is [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate is CC(OC(=O)C1CCC(=O)N1)C(=O)N1CCCC1C(=O)C(C)(C)C.
What is the InChIKey of [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate?
The InChIKey is FQMJAEAWURYUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-10(24-16(23)11-7-8-13(20)18-11)15(22)19-9-5-6-12(19)14(21)17(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,20).
What are the key properties of [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate?
[1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate has a molecular weight of 338.40 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2-dimethylpropanoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl] 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 20749839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).