9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

C13H22N2O2 — CID 66661079

IUPAC9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCN(C1CC1)CC2
InChIInChI=1S/C13H22N2O2/c16-12(17)15-9-5-13(6-10-15)3-7-14(8-4-13)11-1-2-11/h11H,1-10H2,(H,16,17)
InChIKeyMAVDXGUTQGIVFV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds1

About 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid

9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 66661079) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
PubChem CID66661079
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCN(C1CC1)CC2
InChIInChI=1S/C13H22N2O2/c16-12(17)15-9-5-13(6-10-15)3-7-14(8-4-13)11-1-2-11/h11H,1-10H2,(H,16,17)
InChIKeyMAVDXGUTQGIVFV-UHFFFAOYSA-N
XLogP2.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid (CID 66661079) is 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is O=C(O)N1CCC2(CC1)CCN(C1CC1)CC2.
What is the InChIKey of 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is MAVDXGUTQGIVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-12(17)15-9-5-13(6-10-15)3-7-14(8-4-13)11-1-2-11/h11H,1-10H2,(H,16,17).
What are the key properties of 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid?
9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 238.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-3,9-diazaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 66661079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).