2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C15H24N4O2 — CID 56893095

IUPAC2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(Cc3nccn3C)CC2)CC1C(=O)O
InChIInChI=1S/C15H24N4O2/c1-17-8-5-16-13(17)10-19-6-3-15(4-7-19)9-12(14(20)21)18(2)11-15/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeyKLXQERFSPFVVAJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.79
Rot. Bonds3

About 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56893095) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56893095
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(Cc3nccn3C)CC2)CC1C(=O)O
InChIInChI=1S/C15H24N4O2/c1-17-8-5-16-13(17)10-19-6-3-15(4-7-19)9-12(14(20)21)18(2)11-15/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H,20,21)
InChIKeyKLXQERFSPFVVAJ-UHFFFAOYSA-N
XLogP0.79
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

8-[4-(1H-imidazol-1-yl)butanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72863911
8-(cyclopropylcarbonyl)-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892074
8-[(2-methyl-1H-imidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72840877
2-Acetyl-8-(1H-imidazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72885967
8-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72895151
2-acetyl-8-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72934286
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137483
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-propylpiperidine-3-carboxylic acid
CID 63141165
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 64370944
3-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]propanoic acid
CID 81718924
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83079662
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102783938

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56893095) is 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CC2(CCN(Cc3nccn3C)CC2)CC1C(=O)O.
What is the InChIKey of 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is KLXQERFSPFVVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-8-5-16-13(17)10-19-6-3-15(4-7-19)9-12(14(20)21)18(2)11-15/h5,8,12H,3-4,6-7,9-11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56893095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).