2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid

C9H13NO5 — CID 66167741

IUPAC2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid
SMILESCC1(C)CC(=O)N(C(CO)C(=O)O)C1=O
InChIInChI=1S/C9H13NO5/c1-9(2)3-6(12)10(8(9)15)5(4-11)7(13)14/h5,11H,3-4H2,1-2H3,(H,13,14)
InChIKeyREMYMTSXLCIHHE-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.78
Rot. Bonds3

About 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid

2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid (PubChem CID 66167741) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid
PubChem CID66167741
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid
SMILESCC1(C)CC(=O)N(C(CO)C(=O)O)C1=O
InChIInChI=1S/C9H13NO5/c1-9(2)3-6(12)10(8(9)15)5(4-11)7(13)14/h5,11H,3-4H2,1-2H3,(H,13,14)
InChIKeyREMYMTSXLCIHHE-UHFFFAOYSA-N
XLogP-0.78
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid?
The IUPAC name of 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid (CID 66167741) is 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid is CC1(C)CC(=O)N(C(CO)C(=O)O)C1=O.
What is the InChIKey of 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid?
The InChIKey is REMYMTSXLCIHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-9(2)3-6(12)10(8(9)15)5(4-11)7(13)14/h5,11H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid?
2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid has a molecular weight of 215.20 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-3-hydroxypropanoic acid is sourced from PubChem (CID 66167741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).