tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate

C20H28N2O3 — CID 123675174

IUPACtert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCN1C[C@H](c2ccccc2)[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)22-12-8-11-20(14-22)16(13-21(4)17(20)23)15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3/t16-,20-/m1/s1
InChIKeyWEDIYHXYPMHVGR-OXQOHEQNSA-N
MW344.46 g/mol
LogP3.26
Rot. Bonds1

About tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate

tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate (PubChem CID 123675174) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
PubChem CID123675174
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Nametert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
SMILESCN1C[C@H](c2ccccc2)[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O
InChIInChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)22-12-8-11-20(14-22)16(13-21(4)17(20)23)15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3/t16-,20-/m1/s1
InChIKeyWEDIYHXYPMHVGR-OXQOHEQNSA-N
XLogP3.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-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 N-[2-methyl-1-[[(2R)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxo-5-phenylpentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71060357
9-[(2R)-2-amino-3-phenylmethoxypropanoyl]-2-methyl-4-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 71060406
(4S,5R)-2-(2,2-dimethylpropyl)-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 140624874
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
tert-butyl 2-ethyl-4-methyl-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 59373297
(3S,4R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-3-carboxylic acid
CID 67333470
(3S,4S)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpiperidine-4-carboxylic acid
CID 90919805
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 9-phenyl-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 135741413
2-methyl-7-[2-(1-methylpyrazol-3-yl)acetyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 131679626

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
The IUPAC name of tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate (CID 123675174) is tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate is CN1C[C@H](c2ccccc2)[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O.
What is the InChIKey of tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
The InChIKey is WEDIYHXYPMHVGR-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-19(2,3)25-18(24)22-12-8-11-20(14-22)16(13-21(4)17(20)23)15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3/t16-,20-/m1/s1.
What are the key properties of tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate?
tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R,5S)-2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 123675174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).