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

C11H17NO4 — CID 57245988

IUPAC5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCC1(C)CC(=O)N(CCCCC(=O)O)C1=O
InChIInChI=1S/C11H17NO4/c1-11(2)7-8(13)12(10(11)16)6-4-3-5-9(14)15/h3-7H2,1-2H3,(H,14,15)
InChIKeyCODQMFUVMVHBPF-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.03
Rot. Bonds5

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

5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid (PubChem CID 57245988) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
PubChem CID57245988
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCC1(C)CC(=O)N(CCCCC(=O)O)C1=O
InChIInChI=1S/C11H17NO4/c1-11(2)7-8(13)12(10(11)16)6-4-3-5-9(14)15/h3-7H2,1-2H3,(H,14,15)
InChIKeyCODQMFUVMVHBPF-UHFFFAOYSA-N
XLogP1.03
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid (CID 57245988) is 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid is CC1(C)CC(=O)N(CCCCC(=O)O)C1=O.
What is the InChIKey of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is CODQMFUVMVHBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(2)7-8(13)12(10(11)16)6-4-3-5-9(14)15/h3-7H2,1-2H3,(H,14,15).
What are the key properties of 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 57245988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).