tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate

C19H25NO4 — CID 134957795

IUPACtert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)[C@]2(C1)OCCC[C@@H]2c1ccccc1
InChIInChI=1S/C19H25NO4/c1-18(2,3)24-17(22)20-12-16(21)19(13-20)15(10-7-11-23-19)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3/t15-,19-/m1/s1
InChIKeyWKCVBELVUKZWCM-DNVCBOLYSA-N
MW331.41 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate

tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate (PubChem CID 134957795) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate
PubChem CID134957795
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Nametert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)[C@]2(C1)OCCC[C@@H]2c1ccccc1
InChIInChI=1S/C19H25NO4/c1-18(2,3)24-17(22)20-12-16(21)19(13-20)15(10-7-11-23-19)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3/t15-,19-/m1/s1
InChIKeyWKCVBELVUKZWCM-DNVCBOLYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate with MolForge

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Related Compounds

(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
CID 67333470
tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 135741413
tert-butyl (5R,9S)-1-oxo-9-phenyl-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 124518790
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 4-(2-phenyloxiran-2-yl)piperidine-1-carboxylate
CID 102537824
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 123675174
tert-butyl 2-phenylmorpholine-4-carboxylate
CID 58315777
tert-butyl 3-(1-phenylethylidene)azetidine-1-carboxylate
CID 156785803
tert-butyl 8-oxo-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
CID 99114871
tert-butyl (3R,4S)-3,4-diphenylpiperidine-1-carboxylate
CID 101207420
tert-butyl 2-(2-phenylcyclohexyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 167141572
tert-butyl 4-oxo-2-phenyl-8-azaspiro[4.5]decane-8-carboxylate
CID 59312198

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate (CID 134957795) is tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CC(=O)[C@]2(C1)OCCC[C@@H]2c1ccccc1.
What is the InChIKey of tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate?
The InChIKey is WKCVBELVUKZWCM-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-18(2,3)24-17(22)20-12-16(21)19(13-20)15(10-7-11-23-19)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3/t15-,19-/m1/s1.
What are the key properties of tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate?
tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,10R)-4-oxo-10-phenyl-6-oxa-2-azaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 134957795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).