2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid

C15H25NO4 — CID 71317657

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-9-8-15(10-16)6-4-11(5-7-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyQHSHITNSETWPKW-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.89
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 71317657) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID71317657
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-9-8-15(10-16)6-4-11(5-7-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyQHSHITNSETWPKW-UHFFFAOYSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid (CID 71317657) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid is CC(C)(C)OC(=O)N1CCC2(CCC(C(=O)O)CC2)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is QHSHITNSETWPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-14(2,3)20-13(19)16-9-8-15(10-16)6-4-11(5-7-15)12(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 71317657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).