2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid

C14H21NO4 — CID 43386026

IUPAC2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-9(2)11(12(17)18)15-10(16)8-14(13(15)19)6-4-3-5-7-14/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyYPUWRNXZOJWDMG-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.80
Rot. Bonds3

About 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid

2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid (PubChem CID 43386026) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid
PubChem CID43386026
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1C(=O)CC2(CCCCC2)C1=O
InChIInChI=1S/C14H21NO4/c1-9(2)11(12(17)18)15-10(16)8-14(13(15)19)6-4-3-5-7-14/h9,11H,3-8H2,1-2H3,(H,17,18)
InChIKeyYPUWRNXZOJWDMG-UHFFFAOYSA-N
XLogP1.80
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.80
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[4.5]decan-2-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid (CID 43386026) is 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid is CC(C)C(C(=O)O)N1C(=O)CC2(CCCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid?
The InChIKey is YPUWRNXZOJWDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)11(12(17)18)15-10(16)8-14(13(15)19)6-4-3-5-7-14/h9,11H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid?
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-methylbutanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.80, 3 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[4.5]decan-2-yl)-3-methylbutanoic acid is sourced from PubChem (CID 43386026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).