2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid

C14H23NO4 — CID 91812050

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)C2(CCCC2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-10(11(16)17)14(9-15)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyPXOWZNKGPINTIR-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.50
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid (PubChem CID 91812050) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid
PubChem CID91812050
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CC(C(=O)O)C2(CCCC2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-10(11(16)17)14(9-15)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyPXOWZNKGPINTIR-UHFFFAOYSA-N
XLogP2.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.50
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[4.4]nonane-4-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid (CID 91812050) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid is CC(C)(C)OC(=O)N1CC(C(=O)O)C2(CCCC2)C1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid?
The InChIKey is PXOWZNKGPINTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-8-10(11(16)17)14(9-15)6-4-5-7-14/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azaspiro[4.4]nonane-4-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.50, 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[4.4]nonane-4-carboxylic acid is sourced from PubChem (CID 91812050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).