tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate

C29H29NO4 — CID 11102498

IUPACtert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@@H](c2ccccc2)OC(=O)[C@@]12C[C@@H]2c1ccccc1
InChIInChI=1S/C29H29NO4/c1-28(2,3)34-27(32)30-24(21-15-9-5-10-16-21)25(22-17-11-6-12-18-22)33-26(31)29(30)19-23(29)20-13-7-4-8-14-20/h4-18,23-25H,19H2,1-3H3/t23-,24+,25-,29+/m1/s1
InChIKeyLCVLDVUZWSWDBD-ZTVFFDQVSA-N
MW455.55 g/mol
LogP6.19
Rot. Bonds3

About tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 11102498) has the molecular formula C29H29NO4 and a molecular weight of 455.55 g/mol. Its IUPAC name is tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID11102498
Molecular FormulaC29H29NO4
Molecular Weight455.55 g/mol
Exact Mass455.21
IUPAC Nametert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@@H](c2ccccc2)OC(=O)[C@@]12C[C@@H]2c1ccccc1
InChIInChI=1S/C29H29NO4/c1-28(2,3)34-27(32)30-24(21-15-9-5-10-16-21)25(22-17-11-6-12-18-22)33-26(31)29(30)19-23(29)20-13-7-4-8-14-20/h4-18,23-25H,19H2,1-3H3/t23-,24+,25-,29+/m1/s1
InChIKeyLCVLDVUZWSWDBD-ZTVFFDQVSA-N
XLogP6.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fenbutrazate
CID 20395
2-Dibenzylamino-3-phenyl-propionic acid benzyl ester
CID 375616
tert-butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
CID 981230
Benzyl (2S,3R)-(+)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981233
(2R,3S)-(-)-N-Z-6-oxo-2,3-diphenylmorpholine
CID 981238
Benzyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 3902786
tert-Butyl 6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 4533742
benzyl (3S,5S,6R)-3-[(2-cyclopentylphenyl)methyl]-2-oxo-5,6-diphenylmorpholine-4-carboxylate
CID 44531135
1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate
CID 981225
[(1S)-2-oxo-2-[(5S)-3-oxo-5-(2-phenylethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1-phenylethyl] acetate
CID 122600775
Benzyl N,N-dibenzyl-L-phenylalaninate
CID 10928230
(2S)-4-(benzyloxy)-1-(2,2-diphenylacetyl)piperidine-2-carboxylic acid
CID 71667882

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate (CID 11102498) is tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate is CC(C)(C)OC(=O)N1[C@@H](c2ccccc2)[C@@H](c2ccccc2)OC(=O)[C@@]12C[C@@H]2c1ccccc1.
What is the InChIKey of tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is LCVLDVUZWSWDBD-ZTVFFDQVSA-N. The full InChI is InChI=1S/C29H29NO4/c1-28(2,3)34-27(32)30-24(21-15-9-5-10-16-21)25(22-17-11-6-12-18-22)33-26(31)29(30)19-23(29)20-13-7-4-8-14-20/h4-18,23-25H,19H2,1-3H3/t23-,24+,25-,29+/m1/s1.
What are the key properties of tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 455.55 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,5S,6R)-8-oxo-2,5,6-triphenyl-7-oxa-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 11102498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).