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

C14H21NO4 — CID 43470106

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-2-3-6-10(12(17)18)15-11(16)9-14(13(15)19)7-4-5-8-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeyPOEQFQMQUXRVKF-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.95
Rot. Bonds5

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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid (PubChem CID 43470106) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid
PubChem CID43470106
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-2-3-6-10(12(17)18)15-11(16)9-14(13(15)19)7-4-5-8-14/h10H,2-9H2,1H3,(H,17,18)
InChIKeyPOEQFQMQUXRVKF-UHFFFAOYSA-N
XLogP1.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.95
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-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid (CID 43470106) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid is CCCCC(C(=O)O)N1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid?
The InChIKey is POEQFQMQUXRVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-3-6-10(12(17)18)15-11(16)9-14(13(15)19)7-4-5-8-14/h10H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)hexanoic acid is sourced from PubChem (CID 43470106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).