2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid

C14H19NO4 — CID 64669088

IUPAC2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H19NO4/c1-13(12(18)19,9-4-5-9)15-10(16)8-14(11(15)17)6-2-3-7-14/h9H,2-8H2,1H3,(H,18,19)
InChIKeyWSPUSTFUQADUOX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.56
Rot. Bonds3

About 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid

2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid (PubChem CID 64669088) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
PubChem CID64669088
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H19NO4/c1-13(12(18)19,9-4-5-9)15-10(16)8-14(11(15)17)6-2-3-7-14/h9H,2-8H2,1H3,(H,18,19)
InChIKeyWSPUSTFUQADUOX-UHFFFAOYSA-N
XLogP1.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.56
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-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid (CID 64669088) is 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid is CC(C(=O)O)(C1CC1)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
The InChIKey is WSPUSTFUQADUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-13(12(18)19,9-4-5-9)15-10(16)8-14(11(15)17)6-2-3-7-14/h9H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid?
2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid is sourced from PubChem (CID 64669088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).