tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate

C17H22N2O3 — CID 97111335

IUPACtert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC(=O)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-10-17(11-19)9-18-14(20)13(17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyHUBUYYQIARIBBA-ZDUSSCGKSA-N
MW302.37 g/mol
LogP2.14
Rot. Bonds1

About tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate

tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate (PubChem CID 97111335) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate
PubChem CID97111335
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC(=O)[C@@H]2c2ccccc2)C1
InChIInChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-10-17(11-19)9-18-14(20)13(17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyHUBUYYQIARIBBA-ZDUSSCGKSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate with MolForge

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Related Compounds

tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
CID 67333470
tert-butyl (2'R,3S)-2-oxo-2'-phenylspiro[1H-indole-3,4'-pyrrolidine]-1'-carboxylate
CID 71494321
tert-butyl 3-oxo-4,5-diphenylpyrazolidine-1-carboxylate
CID 23372153
1'-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-3'-carboxylic acid
CID 71305423
tert-butyl 7-benzyl-3,7,10-triazatricyclo[3.3.3.01,5]undecane-3-carboxylate
CID 146675367
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl 3-oxo-5-phenylpyrazolidine-1-carboxylate
CID 102258450
tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 135741413
tert-butyl 5-amino-8-oxo-2,7-diazaspiro[3.5]nonane-2-carboxylate
CID 71305890
tert-butyl 3-phenylpiperazine-1-carboxylate
CID 2735358

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate (CID 97111335) is tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CNC(=O)[C@@H]2c2ccccc2)C1.
What is the InChIKey of tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate?
The InChIKey is HUBUYYQIARIBBA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-10-17(11-19)9-18-14(20)13(17)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate?
tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-6-oxo-5-phenyl-2,7-diazaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 97111335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).