5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

C11H15NO5 — CID 62299952

IUPAC5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCC1CC(=O)N(CC2CCC(C(=O)O)O2)C1=O
InChIInChI=1S/C11H15NO5/c1-6-4-9(13)12(10(6)14)5-7-2-3-8(17-7)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyAMGBOACOMUSGOT-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.01
Rot. Bonds3

About 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid

5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62299952) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62299952
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCC1CC(=O)N(CC2CCC(C(=O)O)O2)C1=O
InChIInChI=1S/C11H15NO5/c1-6-4-9(13)12(10(6)14)5-7-2-3-8(17-7)11(15)16/h6-8H,2-5H2,1H3,(H,15,16)
InChIKeyAMGBOACOMUSGOT-UHFFFAOYSA-N
XLogP0.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.01
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

5-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 79180651
5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 65301856
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582
(2S,5R)-5-[(3,5-dimethylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178198064
5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62301014
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
(2S,5R)-5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178190652
5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300814
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]oxolane-2-carboxylic acid
CID 62299054
1-(2-cyclohexyl-2-oxoethyl)-3-methylpyrrolidine-2,5-dione
CID 104751309
5-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300466

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (CID 62299952) is 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is CC1CC(=O)N(CC2CCC(C(=O)O)O2)C1=O.
What is the InChIKey of 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is AMGBOACOMUSGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-6-4-9(13)12(10(6)14)5-7-2-3-8(17-7)11(15)16/h6-8H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 241.24 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).