2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

C14H23NO5 — CID 167715512

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCOCC2)C1C(=O)O
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-7-4-14(10(15)11(16)17)5-8-19-9-6-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyWOTVJRBGQTZTSH-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.88
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid

2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (PubChem CID 167715512) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
PubChem CID167715512
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CCOCC2)C1C(=O)O
InChIInChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-7-4-14(10(15)11(16)17)5-8-19-9-6-14/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyWOTVJRBGQTZTSH-UHFFFAOYSA-N
XLogP1.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid (CID 167715512) is 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC2(CCOCC2)C1C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
The InChIKey is WOTVJRBGQTZTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-13(2,3)20-12(18)15-7-4-14(10(15)11(16)17)5-8-19-9-6-14/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-1-carboxylic acid is sourced from PubChem (CID 167715512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).