tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate

C14H24N2O3 — CID 124518584

IUPACtert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CCNC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-4-5-14(7-10-16)6-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)/t14-/m1/s1
InChIKeyPNIHEKTXCMKGFF-CQSZACIVSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds

About tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate

tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate (PubChem CID 124518584) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
PubChem CID124518584
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nametert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@]2(CCNC2=O)CC1
InChIInChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-4-5-14(7-10-16)6-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)/t14-/m1/s1
InChIKeyPNIHEKTXCMKGFF-CQSZACIVSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
(5R)-9-(2-ethoxyacetyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895363
tert-butyl 3,3-dimethyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373529
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
tert-butyl 2-oxospiro[1,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4,4'-piperidine]-1'-carboxylate
CID 162385109
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488478
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate?
The IUPAC name of tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate (CID 124518584) is tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate?
The canonical SMILES for tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@]2(CCNC2=O)CC1.
What is the InChIKey of tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate?
The InChIKey is PNIHEKTXCMKGFF-CQSZACIVSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-4-5-14(7-10-16)6-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)/t14-/m1/s1.
What are the key properties of tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate?
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate is sourced from PubChem (CID 124518584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).