diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate

C15H25NO6 — CID 134917578

IUPACdiethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate
SMILESCCOC(=O)C(C)C(C(=O)OCC)C(O)C(=O)N1CCCC1
InChIInChI=1S/C15H25NO6/c1-4-21-14(19)10(3)11(15(20)22-5-2)12(17)13(18)16-8-6-7-9-16/h10-12,17H,4-9H2,1-3H3
InChIKeyPLDWAZQKJXGRJG-UHFFFAOYSA-N
MW315.37 g/mol
LogP0.35
Rot. Bonds7

About diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate

diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate (PubChem CID 134917578) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate.

Molecular Properties

Compound Namediethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate
PubChem CID134917578
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Namediethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate
SMILESCCOC(=O)C(C)C(C(=O)OCC)C(O)C(=O)N1CCCC1
InChIInChI=1S/C15H25NO6/c1-4-21-14(19)10(3)11(15(20)22-5-2)12(17)13(18)16-8-6-7-9-16/h10-12,17H,4-9H2,1-3H3
InChIKeyPLDWAZQKJXGRJG-UHFFFAOYSA-N
XLogP0.35
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493
ethyl 2-(azepane-1-carbonyl)-3,3-dimethylbutanoate
CID 116537599
ethyl 2-(azocane-1-carbonyl)-3,3-dimethylbutanoate
CID 116537712
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
(2S,3R)-3-hydroxy-2-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 10845219
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl 2,3-dimethylpentanoate
CID 55255239
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate?
The IUPAC name of diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate (CID 134917578) is diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate.
What is the SMILES notation for diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate?
The canonical SMILES for diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate is CCOC(=O)C(C)C(C(=O)OCC)C(O)C(=O)N1CCCC1.
What is the InChIKey of diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate?
The InChIKey is PLDWAZQKJXGRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO6/c1-4-21-14(19)10(3)11(15(20)22-5-2)12(17)13(18)16-8-6-7-9-16/h10-12,17H,4-9H2,1-3H3.
What are the key properties of diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate?
diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate has a molecular weight of 315.37 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate is sourced from PubChem (CID 134917578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).