methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

C15H27N3O3 — CID 3234502

IUPACmethyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)16-13(19)17-8-4-15(5-9-17)6-10-18(11-7-15)14(20)21-3/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyDFIVKYIIJATGBG-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.05
Rot. Bonds1

About methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate

methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 3234502) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID3234502
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Namemethyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCOC(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-12(2)16-13(19)17-8-4-15(5-9-17)6-10-18(11-7-15)14(20)21-3/h12H,4-11H2,1-3H3,(H,16,19)
InChIKeyDFIVKYIIJATGBG-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate (CID 3234502) is methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is COC(=O)N1CCC2(CCN(C(=O)NC(C)C)CC2)CC1.
What is the InChIKey of methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is DFIVKYIIJATGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(2)16-13(19)17-8-4-15(5-9-17)6-10-18(11-7-15)14(20)21-3/h12H,4-11H2,1-3H3,(H,16,19).
What are the key properties of methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate?
methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(propan-2-ylcarbamoyl)-3,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 3234502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).