tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate

C15H27N3O3 — CID 118385505

IUPACtert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCCN1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H27N3O3/c1-5-8-18-15(11-12(19)16-18)6-9-17(10-7-15)13(20)21-14(2,3)4/h5-11H2,1-4H3,(H,16,19)
InChIKeyVOPMIGAMAWNBJL-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate

tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate (PubChem CID 118385505) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate
PubChem CID118385505
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate
SMILESCCCN1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H27N3O3/c1-5-8-18-15(11-12(19)16-18)6-9-17(10-7-15)13(20)21-14(2,3)4/h5-11H2,1-4H3,(H,16,19)
InChIKeyVOPMIGAMAWNBJL-UHFFFAOYSA-N
XLogP1.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate (CID 118385505) is tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate is CCCN1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
The InChIKey is VOPMIGAMAWNBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-8-18-15(11-12(19)16-18)6-9-17(10-7-15)13(20)21-14(2,3)4/h5-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-1-propyl-1,2,8-triazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 118385505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).