ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate

C10H17NO3 — CID 135193493

IUPACethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(C)C(=O)N1CCCC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)8(2)9(12)11-6-4-5-7-11/h8H,3-7H2,1-2H3
InChIKeyCUXRIQJULOYOJT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds3

About ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate

ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate (PubChem CID 135193493) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
PubChem CID135193493
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
SMILESCCOC(=O)C(C)C(=O)N1CCCC1
InChIInChI=1S/C10H17NO3/c1-3-14-10(13)8(2)9(12)11-6-4-5-7-11/h8H,3-7H2,1-2H3
InChIKeyCUXRIQJULOYOJT-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

diethyl 2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-3-methylbutanedioate
CID 134917578
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CID 116537599
ethyl 2-(azocane-1-carbonyl)-3,3-dimethylbutanoate
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ethyl (E)-5-methyl-6-oxo-6-pyrrolidin-1-ylhex-2-enoate
CID 146168827
ethyl 4-formyl-3,5-dioxo-5-pyrrolidin-1-ylpentanoate
CID 91595716
ethyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026818
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl pyrrolidine-1-carboxylate;methanol
CID 153400940
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
diethyl 2-methylpropanedioate;zirconium
CID 174876844
ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
ethyl azetidine-1-carboxylate
CID 14088501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate?
The IUPAC name of ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate (CID 135193493) is ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate is CCOC(=O)C(C)C(=O)N1CCCC1.
What is the InChIKey of ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate?
The InChIKey is CUXRIQJULOYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-14-10(13)8(2)9(12)11-6-4-5-7-11/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate?
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 135193493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).