5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid

C11H15NO4 — CID 82683818

IUPAC5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CN1C(=O)C2CC2C1=O
InChIInChI=1S/C11H15NO4/c1-6(2-3-9(13)14)5-12-10(15)7-4-8(7)11(12)16/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyQVDYUXHLLJACKD-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.49
Rot. Bonds5

About 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid

5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid (PubChem CID 82683818) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid
PubChem CID82683818
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CN1C(=O)C2CC2C1=O
InChIInChI=1S/C11H15NO4/c1-6(2-3-9(13)14)5-12-10(15)7-4-8(7)11(12)16/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyQVDYUXHLLJACKD-UHFFFAOYSA-N
XLogP0.49
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
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 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid?
The IUPAC name of 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid (CID 82683818) is 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid.
What is the SMILES notation for 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid?
The canonical SMILES for 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid is CC(CCC(=O)O)CN1C(=O)C2CC2C1=O.
What is the InChIKey of 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid?
The InChIKey is QVDYUXHLLJACKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-6(2-3-9(13)14)5-12-10(15)7-4-8(7)11(12)16/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid?
5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-4-methylpentanoic acid is sourced from PubChem (CID 82683818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).