1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid

C13H24N2O2 — CID 66655102

IUPAC1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCC(C)CC1N(C(=O)O)CCC12CCNCC2
InChIInChI=1S/C13H24N2O2/c1-10(2)9-11-13(3-6-14-7-4-13)5-8-15(11)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyZBUPOJQHZMFKGH-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.15
Rot. Bonds2

About 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid

1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid (PubChem CID 66655102) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid
PubChem CID66655102
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid
SMILESCC(C)CC1N(C(=O)O)CCC12CCNCC2
InChIInChI=1S/C13H24N2O2/c1-10(2)9-11-13(3-6-14-7-4-13)5-8-15(11)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyZBUPOJQHZMFKGH-UHFFFAOYSA-N
XLogP2.15
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid (CID 66655102) is 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid is CC(C)CC1N(C(=O)O)CCC12CCNCC2.
What is the InChIKey of 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is ZBUPOJQHZMFKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)9-11-13(3-6-14-7-4-13)5-8-15(11)12(16)17/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid?
1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 240.35 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2,8-diazaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 66655102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).