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

C18H30N4O2 — CID 56883652

IUPAC2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)Cn1cncc1CN1CCC2(CC1)CC(C(=O)O)N(C)C2
InChIInChI=1S/C18H30N4O2/c1-14(2)10-22-13-19-9-15(22)11-21-6-4-18(5-7-21)8-16(17(23)24)20(3)12-18/h9,13-14,16H,4-8,10-12H2,1-3H3,(H,23,24)
InChIKeyRJJJJCWIBCDEBT-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.91
Rot. Bonds5

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

2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56883652) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56883652
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(C)Cn1cncc1CN1CCC2(CC1)CC(C(=O)O)N(C)C2
InChIInChI=1S/C18H30N4O2/c1-14(2)10-22-13-19-9-15(22)11-21-6-4-18(5-7-21)8-16(17(23)24)20(3)12-18/h9,13-14,16H,4-8,10-12H2,1-3H3,(H,23,24)
InChIKeyRJJJJCWIBCDEBT-UHFFFAOYSA-N
XLogP1.91
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56883652) is 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(C)Cn1cncc1CN1CCC2(CC1)CC(C(=O)O)N(C)C2.
What is the InChIKey of 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is RJJJJCWIBCDEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14(2)10-22-13-19-9-15(22)11-21-6-4-18(5-7-21)8-16(17(23)24)20(3)12-18/h9,13-14,16H,4-8,10-12H2,1-3H3,(H,23,24).
What are the key properties of 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 334.46 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56883652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).