methyl 2-(2,6-dioxopiperidin-3-yl)acetate

C8H11NO4 — CID 138460854

IUPACmethyl 2-(2,6-dioxopiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCC(=O)NC1=O
InChIInChI=1S/C8H11NO4/c1-13-7(11)4-5-2-3-6(10)9-8(5)12/h5H,2-4H2,1H3,(H,9,10,12)
InChIKeyNEFANJSLGZQYOY-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.40
Rot. Bonds2

About methyl 2-(2,6-dioxopiperidin-3-yl)acetate

methyl 2-(2,6-dioxopiperidin-3-yl)acetate (PubChem CID 138460854) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is methyl 2-(2,6-dioxopiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-dioxopiperidin-3-yl)acetate
PubChem CID138460854
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namemethyl 2-(2,6-dioxopiperidin-3-yl)acetate
SMILESCOC(=O)CC1CCC(=O)NC1=O
InChIInChI=1S/C8H11NO4/c1-13-7(11)4-5-2-3-6(10)9-8(5)12/h5H,2-4H2,1H3,(H,9,10,12)
InChIKeyNEFANJSLGZQYOY-UHFFFAOYSA-N
XLogP-0.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
CID 104567454
(2-oxopiperidin-3-yl) 2-(2,6-dioxopiperidin-3-yl)acetate
CID 146096913
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
methyl 2-(5-cyano-6-methoxy-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetate
CID 11816943
methyl 2-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
CID 130624280
ethane;3-[2-(2-ethyl-4-methylphenyl)-2-oxoethyl]piperidine-2,6-dione
CID 171788463
3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione
CID 106458139
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982
methyl 2-[(3R,5aS,9aR)-4-oxo-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]diazepin-3-yl]acetate
CID 30033551
methyl 2-[(3R,5aR,9aS)-4-oxo-1,2,3,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]diazepin-3-yl]acetate
CID 124764118
methyl 2-[(1R,3S)-3-cyclohexyl-2-oxocyclopentyl]acetate
CID 101063177

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-dioxopiperidin-3-yl)acetate?
The IUPAC name of methyl 2-(2,6-dioxopiperidin-3-yl)acetate (CID 138460854) is methyl 2-(2,6-dioxopiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(2,6-dioxopiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-(2,6-dioxopiperidin-3-yl)acetate is COC(=O)CC1CCC(=O)NC1=O.
What is the InChIKey of methyl 2-(2,6-dioxopiperidin-3-yl)acetate?
The InChIKey is NEFANJSLGZQYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-13-7(11)4-5-2-3-6(10)9-8(5)12/h5H,2-4H2,1H3,(H,9,10,12).
What are the key properties of methyl 2-(2,6-dioxopiperidin-3-yl)acetate?
methyl 2-(2,6-dioxopiperidin-3-yl)acetate has a molecular weight of 185.18 g/mol, XLogP of -0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-dioxopiperidin-3-yl)acetate is sourced from PubChem (CID 138460854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).