diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate

C15H25NO5 — CID 178077630

IUPACdiethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1C(=O)CC[C@]1(CC(C)(C)C)C(=O)OCC
InChIInChI=1S/C15H25NO5/c1-6-20-12(18)15(10-14(3,4)5)9-8-11(17)16(15)13(19)21-7-2/h6-10H2,1-5H3/t15-/m0/s1
InChIKeyBOGBXTTYSWMBGL-HNNXBMFYSA-N
MW299.37 g/mol
LogP2.50
Rot. Bonds4

About diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate

diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate (PubChem CID 178077630) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate
PubChem CID178077630
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Namediethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate
SMILESCCOC(=O)N1C(=O)CC[C@]1(CC(C)(C)C)C(=O)OCC
InChIInChI=1S/C15H25NO5/c1-6-20-12(18)15(10-14(3,4)5)9-8-11(17)16(15)13(19)21-7-2/h6-10H2,1-5H3/t15-/m0/s1
InChIKeyBOGBXTTYSWMBGL-HNNXBMFYSA-N
XLogP2.50
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 3,5-dioxotetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
CID 13534270
Methyl (2S)-1-tert-Boc-2,4,4-trimethylpyroglutamate
CID 29983443
1-O-tert-butyl 2-O-methyl 2,4,4-trimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 53762425
1-tert-Butyl 2-ethyl 2,4,4-trimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 57680548
Ditert-butyl 2,4,4-trimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 67262016
2-O-tert-butyl 1-O-iodo 2-ethyl-4,4-dimethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 68992552
(2S,4S)-2-tert-butyl-2-methoxycarbonyl-4-methyl-5-oxopyrrolidine-1-carboxylic acid
CID 69100739
(2S,4R)-2-tert-butyl-2-methoxycarbonyl-4-methyl-5-oxopyrrolidine-1-carboxylic acid
CID 69131919
Ditert-butyl 2-ethyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 90015693
2-Ethyl-4,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-1-carboxylic acid
CID 91489707
(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 140268821
dibutyl (2S)-2-methyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 166769769

Frequently Asked Questions

What is the IUPAC name of diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate?
The IUPAC name of diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate (CID 178077630) is diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate.
What is the SMILES notation for diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate?
The canonical SMILES for diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate is CCOC(=O)N1C(=O)CC[C@]1(CC(C)(C)C)C(=O)OCC.
What is the InChIKey of diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate?
The InChIKey is BOGBXTTYSWMBGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-6-20-12(18)15(10-14(3,4)5)9-8-11(17)16(15)13(19)21-7-2/h6-10H2,1-5H3/t15-/m0/s1.
What are the key properties of diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate?
diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2S)-2-(2,2-dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylate is sourced from PubChem (CID 178077630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).