3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid

C12H20N2O3 — CID 123534300

IUPAC3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid
SMILESCC1CC2(CCNCC2)C(=O)N1CCC(=O)O
InChIInChI=1S/C12H20N2O3/c1-9-8-12(3-5-13-6-4-12)11(17)14(9)7-2-10(15)16/h9,13H,2-8H2,1H3,(H,15,16)
InChIKeyIHPDRFYMZZUEHX-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds3

About 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid

3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid (PubChem CID 123534300) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid
PubChem CID123534300
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid
SMILESCC1CC2(CCNCC2)C(=O)N1CCC(=O)O
InChIInChI=1S/C12H20N2O3/c1-9-8-12(3-5-13-6-4-12)11(17)14(9)7-2-10(15)16/h9,13H,2-8H2,1H3,(H,15,16)
InChIKeyIHPDRFYMZZUEHX-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid?
The IUPAC name of 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid (CID 123534300) is 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid.
What is the SMILES notation for 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid?
The canonical SMILES for 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid is CC1CC2(CCNCC2)C(=O)N1CCC(=O)O.
What is the InChIKey of 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid?
The InChIKey is IHPDRFYMZZUEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9-8-12(3-5-13-6-4-12)11(17)14(9)7-2-10(15)16/h9,13H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid?
3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoic acid is sourced from PubChem (CID 123534300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).