9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid

C15H24N2O5 — CID 71305479

IUPAC9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NCC2C(=O)O
InChIInChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)17-6-4-15(5-7-17)8-11(18)16-9-10(15)12(19)20/h10H,4-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRMPMTTNDESLAKQ-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.22
Rot. Bonds1

About 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid

9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid (PubChem CID 71305479) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid.

Molecular Properties

Compound Name9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid
PubChem CID71305479
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NCC2C(=O)O
InChIInChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)17-6-4-15(5-7-17)8-11(18)16-9-10(15)12(19)20/h10H,4-9H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRMPMTTNDESLAKQ-UHFFFAOYSA-N
XLogP1.22
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid?
The IUPAC name of 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid (CID 71305479) is 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid.
What is the SMILES notation for 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid?
The canonical SMILES for 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid is CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NCC2C(=O)O.
What is the InChIKey of 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid?
The InChIKey is RMPMTTNDESLAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-14(2,3)22-13(21)17-6-4-15(5-7-17)8-11(18)16-9-10(15)12(19)20/h10H,4-9H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid?
9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,9-diazaspiro[5.5]undecane-5-carboxylic acid is sourced from PubChem (CID 71305479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).