methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate

C9H13NO4 — CID 10559902

IUPACmethyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CC(C)CC1=O
InChIInChI=1S/C9H13NO4/c1-6-3-7(11)10(5-6)8(12)4-9(13)14-2/h6H,3-5H2,1-2H3
InChIKeyHLEIOYNHDQEQJL-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.06
Rot. Bonds2

About methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate

methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate (PubChem CID 10559902) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate
PubChem CID10559902
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namemethyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate
SMILESCOC(=O)CC(=O)N1CC(C)CC1=O
InChIInChI=1S/C9H13NO4/c1-6-3-7(11)10(5-6)8(12)4-9(13)14-2/h6H,3-5H2,1-2H3
InChIKeyHLEIOYNHDQEQJL-UHFFFAOYSA-N
XLogP-0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-oxo-3-(pyrrolidin-1-yl)propanoate
CID 12647629
1-(tert-Butoxycarbonyl)-2-oxopyrrolidine-3-carboxylic acid
CID 90922591
1,3-Di-t-butyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 102250587
1-tert-Butyl 3-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 11207608
Ethyl 1-methyl-2-oxopyrrolidine-3-carboxylate
CID 12173151
Methyl 1-methyl-2-oxopyrrolidine-3-carboxylate
CID 12646144
Dimethyl 4-oxopyrrolidine-1,3-dicarboxylate
CID 24179089
Ethyl 1-ethyl-2-oxopyrrolidine-3-carboxylate
CID 135020892
Methyl 2-(3,3-difluoropyrrolidine-1-carbonyl)butanoate
CID 116991783
Ethyl 1-acetyl-4-oxopyrrolidine-3-carboxylate
CID 323504
1-Tert-butyl 3-methyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 11333999
3-O-tert-butyl 1-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 12201733

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate?
The IUPAC name of methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate (CID 10559902) is methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate?
The canonical SMILES for methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate is COC(=O)CC(=O)N1CC(C)CC1=O.
What is the InChIKey of methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate?
The InChIKey is HLEIOYNHDQEQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-6-3-7(11)10(5-6)8(12)4-9(13)14-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate?
methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate has a molecular weight of 199.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methyl-2-oxopyrrolidin-1-yl)-3-oxopropanoate is sourced from PubChem (CID 10559902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).