tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate

C11H19N3O3 — CID 124710760

IUPACtert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2)C1
InChIInChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)14-5-4-11(7-14)6-8(15)12-13-11/h13H,4-7H2,1-3H3,(H,12,15)/t11-/m0/s1
InChIKeyYTJOGGJXWKYVIA-NSHDSACASA-N
MW241.29 g/mol
LogP0.39
Rot. Bonds

About tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate

tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate (PubChem CID 124710760) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
PubChem CID124710760
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Nametert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2)C1
InChIInChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)14-5-4-11(7-14)6-8(15)12-13-11/h13H,4-7H2,1-3H3,(H,12,15)/t11-/m0/s1
InChIKeyYTJOGGJXWKYVIA-NSHDSACASA-N
XLogP0.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
CID 167468562
tert-butyl (5R)-3-(2-methoxyethyl)-2-oxo-1,3,7-triazaspiro[4.4]nonane-7-carboxylate
CID 177216424
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 8,10-dioxo-2,6,9-triazaspiro[4.5]decane-2-carboxylate
CID 130941465
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl 2-cyano-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 178200523

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate (CID 124710760) is tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2)C1.
What is the InChIKey of tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is YTJOGGJXWKYVIA-NSHDSACASA-N. The full InChI is InChI=1S/C11H19N3O3/c1-10(2,3)17-9(16)14-5-4-11(7-14)6-8(15)12-13-11/h13H,4-7H2,1-3H3,(H,12,15)/t11-/m0/s1.
What are the key properties of tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate?
tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 124710760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).