methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate

C9H15NO3 — CID 155752843

IUPACmethyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1CCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,8(12)13-3)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKeyCFIYDIMLPITYBT-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.21
Rot. Bonds2

About methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate

methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate (PubChem CID 155752843) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate
PubChem CID155752843
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1CCC(=O)C1
InChIInChI=1S/C9H15NO3/c1-9(2,8(12)13-3)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChIKeyCFIYDIMLPITYBT-UHFFFAOYSA-N
XLogP0.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,1-dicyclopropylethyl)pyrrolidin-3-one
CID 164651283
1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one
CID 130971154
tert-butyl (3-oxopyrrolidin-1-yl) carbonate
CID 69288306
1-(2-methoxy-2-methylpropanoyl)piperidin-4-one
CID 103946549
methyl 3-(4-oxopiperidin-1-yl)prop-2-enoate
CID 79895984
methyl 2,5-dioxopiperidine-1-carboxylate
CID 58426745
methyl 2-(4-cyclobutyl-3-methyl-2-oxoimidazolidin-1-yl)-2-methylpropanoate
CID 116982621
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-one
CID 148583764
methyl 3-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79621520
methyl (2S)-2-(aziridin-1-yl)-2-methylpent-4-enoate
CID 163655825
1-(2-methylbutan-2-yl)piperidin-3-one
CID 139881605
methyl 2-methyl-2-[(1R)-3-oxocyclohexyl]propanoate
CID 11492116

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate (CID 155752843) is methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate is COC(=O)C(C)(C)N1CCC(=O)C1.
What is the InChIKey of methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate?
The InChIKey is CFIYDIMLPITYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,8(12)13-3)10-5-4-7(11)6-10/h4-6H2,1-3H3.
What are the key properties of methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate?
methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate has a molecular weight of 185.22 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 155752843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).