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

C10H15NO4 — CID 65221997

IUPAC2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C10H15NO4/c1-6(2)7(10(14)15)5-11-8(12)3-4-9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyUGVNYCKSQXVIKB-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.49
Rot. Bonds4

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

2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid (PubChem CID 65221997) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid
PubChem CID65221997
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid
SMILESCC(C)C(CN1C(=O)CCC1=O)C(=O)O
InChIInChI=1S/C10H15NO4/c1-6(2)7(10(14)15)5-11-8(12)3-4-9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyUGVNYCKSQXVIKB-UHFFFAOYSA-N
XLogP0.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid (CID 65221997) is 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid is CC(C)C(CN1C(=O)CCC1=O)C(=O)O.
What is the InChIKey of 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid?
The InChIKey is UGVNYCKSQXVIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-6(2)7(10(14)15)5-11-8(12)3-4-9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid?
2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dioxopyrrolidin-1-yl)methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65221997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).