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

C14H21NO4 — CID 43645099

IUPAC2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-3-6-13(2,12(18)19)15-10(16)9-14(11(15)17)7-4-5-8-14/h3-9H2,1-2H3,(H,18,19)
InChIKeyMGCZFDAHXVPOCY-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.95
Rot. Bonds4

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

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid (PubChem CID 43645099) 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)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid
PubChem CID43645099
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-3-6-13(2,12(18)19)15-10(16)9-14(11(15)17)7-4-5-8-14/h3-9H2,1-2H3,(H,18,19)
InChIKeyMGCZFDAHXVPOCY-UHFFFAOYSA-N
XLogP1.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79792174
1-(2,5-Dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 61289725
1-(2,5-Dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 61291400
2-Butyl-2-(2,5-dioxopyrrolidin-1-yl)tetradecanoic acid
CID 70184024
2-(2,5-Dioxopyrrolidin-1-yl)-2-propylpentanoic acid
CID 114991230
(2S)-2-[(2S)-3,3-dimethylbutan-2-yl]-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 140268821
2-Tert-butyl-2-(2,5-dioxopyrrolidin-1-yl)hexadecanedioic acid
CID 153927664
2-(2,2-Dimethylpropyl)-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 175417367
2-(2,5-Dioxopyrrolidin-1-yl)-2-methylheptanoic acid
CID 176165728
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-3-methylbutanoic acid
CID 43386025
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
CID 43414329
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)butanoic acid
CID 43415425

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid (CID 43645099) is 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid is CCCC(C)(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)-2-methylpentanoic acid?
The InChIKey is MGCZFDAHXVPOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-6-13(2,12(18)19)15-10(16)9-14(11(15)17)7-4-5-8-14/h3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid?
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.95, 4 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)-2-methylpentanoic acid is sourced from PubChem (CID 43645099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).