1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C18H28N4O3 — CID 72864532

IUPAC1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)Cn1cncc1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C18H28N4O3/c1-13(2)10-22-12-19-9-14(22)11-21-6-4-18(5-7-21)15(17(24)25)8-16(23)20(18)3/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,24,25)
InChIKeyFZQINEGCSRAGBB-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.44
Rot. Bonds5

About 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72864532) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72864532
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)Cn1cncc1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C
InChIInChI=1S/C18H28N4O3/c1-13(2)10-22-12-19-9-14(22)11-21-6-4-18(5-7-21)15(17(24)25)8-16(23)20(18)3/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,24,25)
InChIKeyFZQINEGCSRAGBB-UHFFFAOYSA-N
XLogP1.44
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72864532) is 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CC(C)Cn1cncc1CN1CCC2(CC1)C(C(=O)O)CC(=O)N2C.
What is the InChIKey of 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FZQINEGCSRAGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13(2)10-22-12-19-9-14(22)11-21-6-4-18(5-7-21)15(17(24)25)8-16(23)20(18)3/h9,12-13,15H,4-8,10-11H2,1-3H3,(H,24,25).
What are the key properties of 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72864532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).