methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate

C7H9NO5 — CID 139781494

IUPACmethyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO5/c1-13-7(12)6(11)8-4(9)2-3-5(8)10/h6,11H,2-3H2,1H3
InChIKeySZSRUXCCVGROIM-UHFFFAOYSA-N
MW187.15 g/mol
LogP-1.37
Rot. Bonds2

About methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate

methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate (PubChem CID 139781494) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate
PubChem CID139781494
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Namemethyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO5/c1-13-7(12)6(11)8-4(9)2-3-5(8)10/h6,11H,2-3H2,1H3
InChIKeySZSRUXCCVGROIM-UHFFFAOYSA-N
XLogP-1.37
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid
CID 14112493
methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
CID 155803355
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 67414424
methyl 2-(4-oxocyclohexyl)propanoate
CID 76688325
methyl 2-hydroxy-2-[(2R)-2-(2-hydroxyethyl)-4-oxoazetidin-1-yl]acetate
CID 54486261
methyl 2,5-dioxopiperidine-1-carboxylate
CID 58426745
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
methyl (2S)-2-hydroxy-2-[(1R)-3-oxocyclopentyl]acetate
CID 11629667
tert-butyl (2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-methylbutanoate
CID 66720483
2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
CID 15236441
methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate (CID 139781494) is methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate is COC(=O)C(O)N1C(=O)CCC1=O.
What is the InChIKey of methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate?
The InChIKey is SZSRUXCCVGROIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-13-7(12)6(11)8-4(9)2-3-5(8)10/h6,11H,2-3H2,1H3.
What are the key properties of methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate?
methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate has a molecular weight of 187.15 g/mol, XLogP of -1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetate is sourced from PubChem (CID 139781494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).