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

C12H17NO5 — CID 65301856

IUPAC5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCC1(C)CC(=O)N(CC2CCC(C(=O)O)O2)C1=O
InChIInChI=1S/C12H17NO5/c1-12(2)5-9(14)13(11(12)17)6-7-3-4-8(18-7)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyOGHFEDDLDWKLIE-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.40
Rot. Bonds3

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

5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 65301856) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
PubChem CID65301856
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
SMILESCC1(C)CC(=O)N(CC2CCC(C(=O)O)O2)C1=O
InChIInChI=1S/C12H17NO5/c1-12(2)5-9(14)13(11(12)17)6-7-3-4-8(18-7)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyOGHFEDDLDWKLIE-UHFFFAOYSA-N
XLogP0.40
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 79180651
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62299952
3,3-dimethyl-1-[(4-methylpiperidin-3-yl)methyl]pyrrolidine-2,5-dione
CID 114956274
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
5-[(3-oxo-1,2-benzothiazol-2-yl)methyl]oxolane-2-carboxylic acid
CID 81435344
5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300814
(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582
(2S,5R)-5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178190652
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]oxolane-2-carboxylic acid
CID 62299054
(2S,5R)-5-[(3,5-dimethylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178198064
5-[(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300466
5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62301014

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid (CID 65301856) is 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is CC1(C)CC(=O)N(CC2CCC(C(=O)O)O2)C1=O.
What is the InChIKey of 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is OGHFEDDLDWKLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-12(2)5-9(14)13(11(12)17)6-7-3-4-8(18-7)10(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid?
5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 65301856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).