tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate

C18H24N2O3 — CID 124518790

IUPACtert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@]2(CCNC2=O)C1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-11-14(13-7-5-4-6-8-13)18(12-20)9-10-19-15(18)21/h4-8,14H,9-12H2,1-3H3,(H,19,21)/t14-,18-/m0/s1
InChIKeyWQXGOSCVIDAUDS-KSSFIOAISA-N
MW316.40 g/mol
LogP2.53
Rot. Bonds1

About tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 124518790) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID124518790
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@]2(CCNC2=O)C1
InChIInChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-11-14(13-7-5-4-6-8-13)18(12-20)9-10-19-15(18)21/h4-8,14H,9-12H2,1-3H3,(H,19,21)/t14-,18-/m0/s1
InChIKeyWQXGOSCVIDAUDS-KSSFIOAISA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate with MolForge

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Related Compounds

tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 135741413
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
(5S,9S)-7-(2,5-dimethylfuran-3-carbonyl)-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97392356
(5S,9S)-9-phenyl-7-(thiophene-2-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97392354
(5S,9S)-9-phenyl-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 127023256
(3S,4S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-4-carboxylic acid
CID 90919805
tert-butyl 2'-oxospiro[8-oxa-3-azabicyclo[3.2.1]octane-6,3'-pyrrolidine]-3-carboxylate
CID 130003309
tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 97111335
1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
CID 71305423
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358
tert-butyl 11-methyl-1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130625530
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate (CID 124518790) is tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)[C@]2(CCNC2=O)C1.
What is the InChIKey of tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is WQXGOSCVIDAUDS-KSSFIOAISA-N. The full InChI is InChI=1S/C18H24N2O3/c1-17(2,3)23-16(22)20-11-14(13-7-5-4-6-8-13)18(12-20)9-10-19-15(18)21/h4-8,14H,9-12H2,1-3H3,(H,19,21)/t14-,18-/m0/s1.
What are the key properties of tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate?
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 124518790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).