tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate

C19H26N2O3 — CID 73013458

IUPACtert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESC[C@H]1CN(c2ccccc2)C(=O)[C@]12CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-14-13-20(15-9-6-5-7-10-15)16(22)19(14)11-8-12-21(19)17(23)24-18(2,3)4/h5-7,9-10,14H,8,11-13H2,1-4H3/t14-,19-/m0/s1
InChIKeyKRAHFZIHYIWBHX-LIRRHRJNSA-N
MW330.43 g/mol
LogP3.44
Rot. Bonds1

About tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate

tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate (PubChem CID 73013458) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate
PubChem CID73013458
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nametert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESC[C@H]1CN(c2ccccc2)C(=O)[C@]12CCCN2C(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O3/c1-14-13-20(15-9-6-5-7-10-15)16(22)19(14)11-8-12-21(19)17(23)24-18(2,3)4/h5-7,9-10,14H,8,11-13H2,1-4H3/t14-,19-/m0/s1
InChIKeyKRAHFZIHYIWBHX-LIRRHRJNSA-N
XLogP3.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate with MolForge

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Related Compounds

tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl 3-oxo-2-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 59688382
tert-butyl (2R)-2-methyl-2-phenylpiperidine-1-carboxylate
CID 102345334
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
tert-butyl 2-methyl-2-phenylazepane-1-carboxylate
CID 135033621
tert-butyl 2,2-difluoro-3-(fluoromethyl)-3-phenylpiperidine-1-carboxylate
CID 135390683
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
tert-butyl 2,2-dimethyl-4-phenylpyrrolidine-1-carboxylate
CID 90383956
3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one
CID 10966750
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 2-(methylcarbamoyl)-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123270754

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The IUPAC name of tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate (CID 73013458) is tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate.
What is the SMILES notation for tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The canonical SMILES for tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate is C[C@H]1CN(c2ccccc2)C(=O)[C@]12CCCN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The InChIKey is KRAHFZIHYIWBHX-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-14-13-20(15-9-6-5-7-10-15)16(22)19(14)11-8-12-21(19)17(23)24-18(2,3)4/h5-7,9-10,14H,8,11-13H2,1-4H3/t14-,19-/m0/s1.
What are the key properties of tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate?
tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,9S)-9-methyl-6-oxo-7-phenyl-1,7-diazaspiro[4.4]nonane-1-carboxylate is sourced from PubChem (CID 73013458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).