1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate

C11H19NO3 — CID 19710525

IUPAC1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)N1CCCC1=O
InChIInChI=1S/C11H19NO3/c1-8(12-7-5-6-9(12)13)15-10(14)11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNNTATRSDVGMDCJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.54
Rot. Bonds2

About 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate

1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate (PubChem CID 19710525) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate
PubChem CID19710525
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate
SMILESCC(OC(=O)C(C)(C)C)N1CCCC1=O
InChIInChI=1S/C11H19NO3/c1-8(12-7-5-6-9(12)13)15-10(14)11(2,3)4/h8H,5-7H2,1-4H3
InChIKeyNNTATRSDVGMDCJ-UHFFFAOYSA-N
XLogP1.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-difluoro-2-oxo-2-[1-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonic acid
CID 174629187
methyl acetate;1-(2-oxopyrrolidin-1-yl)ethyl prop-2-enoate
CID 145448652
1-O-methyl 4-O-[1-(2-oxoazepan-1-yl)ethyl] (Z)-but-2-enedioate
CID 130244827
1-(2-oxoazepan-1-yl)ethyl 2-methylidenebutanoate
CID 134203916
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
acetylene;1-propan-2-ylpyrrolidin-2-one
CID 178109061
1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 104550452
methanethiol;(2S)-2-(2-oxopyrrolidin-1-yl)propanamide
CID 143300675
CID 58936787
CID 58936787
2-(2-oxopyrrolidin-1-yl)propanehydrazide
CID 13150926
2,2-dimethylpropyl (3S)-3-(2-oxopiperidin-1-yl)butanoate
CID 99802681
2,2-dimethylpropyl 3-(2-oxopiperidin-1-yl)butanoate
CID 102564061

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate (CID 19710525) is 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate is CC(OC(=O)C(C)(C)C)N1CCCC1=O.
What is the InChIKey of 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate?
The InChIKey is NNTATRSDVGMDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(12-7-5-6-9(12)13)15-10(14)11(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate?
1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate has a molecular weight of 213.28 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrrolidin-1-yl)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 19710525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).