6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid

C14H23NO4 — CID 56962181

IUPAC6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(C(=O)O)C2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-5-14(9-15)7-10(8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyRSPVHRACIRZAAF-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.50
Rot. Bonds1

About 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid

6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 56962181) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid
PubChem CID56962181
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCCC2(CC(C(=O)O)C2)C1
InChIInChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-5-14(9-15)7-10(8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyRSPVHRACIRZAAF-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 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid (CID 56962181) is 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid is CC(C)(C)OC(=O)N1CCCC2(CC(C(=O)O)C2)C1.
What is the InChIKey of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is RSPVHRACIRZAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-13(2,3)19-12(18)15-6-4-5-14(9-15)7-10(8-14)11(16)17/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid?
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-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 6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 56962181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).