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

C15H22N4O3 — CID 72840877

IUPAC8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nccn1CC(=O)N1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C15H22N4O3/c1-11-16-4-7-19(11)9-13(20)18-5-2-15(3-6-18)8-12(14(21)22)17-10-15/h4,7,12,17H,2-3,5-6,8-10H2,1H3,(H,21,22)
InChIKeySLZMZUUTADQZRQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.25
Rot. Bonds3

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

8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72840877) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72840877
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCc1nccn1CC(=O)N1CCC2(CC1)CNC(C(=O)O)C2
InChIInChI=1S/C15H22N4O3/c1-11-16-4-7-19(11)9-13(20)18-5-2-15(3-6-18)8-12(14(21)22)17-10-15/h4,7,12,17H,2-3,5-6,8-10H2,1H3,(H,21,22)
InChIKeySLZMZUUTADQZRQ-UHFFFAOYSA-N
XLogP0.25
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72840877) is 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is Cc1nccn1CC(=O)N1CCC2(CC1)CNC(C(=O)O)C2.
What is the InChIKey of 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SLZMZUUTADQZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-16-4-7-19(11)9-13(20)18-5-2-15(3-6-18)8-12(14(21)22)17-10-15/h4,7,12,17H,2-3,5-6,8-10H2,1H3,(H,21,22).
What are the key properties of 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2-methylimidazol-1-yl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72840877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).