2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid

C14H24N2O3 — CID 63162162

IUPAC2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-13(2,11(17)18)15-12(19)16-9-7-14(8-10-16)5-3-4-6-14/h3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGCCFIRRIDFMCSR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.22
Rot. Bonds2

About 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid

2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid (PubChem CID 63162162) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid
PubChem CID63162162
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-13(2,11(17)18)15-12(19)16-9-7-14(8-10-16)5-3-4-6-14/h3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyGCCFIRRIDFMCSR-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid (CID 63162162) is 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid is CC(C)(NC(=O)N1CCC2(CCCC2)CC1)C(=O)O.
What is the InChIKey of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid?
The InChIKey is GCCFIRRIDFMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,11(17)18)15-12(19)16-9-7-14(8-10-16)5-3-4-6-14/h3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid?
2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decane-8-carbonylamino)-2-methylpropanoic acid is sourced from PubChem (CID 63162162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).