6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid

C11H17NO4 — CID 61036929

IUPAC6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
SMILESCC1CC(=O)N(CCCCCC(=O)O)C1=O
InChIInChI=1S/C11H17NO4/c1-8-7-9(13)12(11(8)16)6-4-2-3-5-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyGKBVJZWFFIMNQP-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.03
Rot. Bonds6

About 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid

6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid (PubChem CID 61036929) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
PubChem CID61036929
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
SMILESCC1CC(=O)N(CCCCCC(=O)O)C1=O
InChIInChI=1S/C11H17NO4/c1-8-7-9(13)12(11(8)16)6-4-2-3-5-10(14)15/h8H,2-7H2,1H3,(H,14,15)
InChIKeyGKBVJZWFFIMNQP-UHFFFAOYSA-N
XLogP1.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid?
The IUPAC name of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid (CID 61036929) is 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid.
What is the SMILES notation for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid?
The canonical SMILES for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid is CC1CC(=O)N(CCCCCC(=O)O)C1=O.
What is the InChIKey of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid?
The InChIKey is GKBVJZWFFIMNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-7-9(13)12(11(8)16)6-4-2-3-5-10(14)15/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid?
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid is sourced from PubChem (CID 61036929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).