tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

C20H35NO4 — CID 134930963

IUPACtert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@@H](O)C2CCCCC2)COC12CCCCC2
InChIInChI=1S/C20H35NO4/c1-19(2,3)25-18(23)21-16(17(22)15-10-6-4-7-11-15)14-24-20(21)12-8-5-9-13-20/h15-17,22H,4-14H2,1-3H3/t16-,17+/m1/s1
InChIKeyXATDHCHRYWDCHH-SJORKVTESA-N
MW353.50 g/mol
LogP4.22
Rot. Bonds2

About tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (PubChem CID 134930963) has the molecular formula C20H35NO4 and a molecular weight of 353.50 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
PubChem CID134930963
Molecular FormulaC20H35NO4
Molecular Weight353.50 g/mol
Exact Mass353.26
IUPAC Nametert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H]([C@@H](O)C2CCCCC2)COC12CCCCC2
InChIInChI=1S/C20H35NO4/c1-19(2,3)25-18(23)21-16(17(22)15-10-6-4-7-11-15)14-24-20(21)12-8-5-9-13-20/h15-17,22H,4-14H2,1-3H3/t16-,17+/m1/s1
InChIKeyXATDHCHRYWDCHH-SJORKVTESA-N
XLogP4.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-4-[(2R)-2-hydroxyundecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134881184
tert-butyl (3R)-3-[(1S)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930681
tert-butyl (3R)-3-[(1R)-1-hydroxypropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930682
tert-butyl (3R)-3-[(1R)-1-hydroxy-2,2-dimethylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134930962
tert-butyl (3R)-3-[(1S)-1-hydroxy-2,2-dimethylpropyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134931144
tert-butyl (3R)-3-[(R)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
CID 134931509
tert-butyl (4R)-4-[(1S)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 138976834
tert-butyl (4R)-4-[(1R)-1-hydroxydecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 138976835
1-Oxa-4-azaspiro[4.5]decane-4-carboxylic acid, 3-(1-hydroxy-2-methylpropyl)-, 1,1-dimethylethyl ester, [R-(R*,R*)]-
CID 10870719
tert-butyl (4S)-4-[(1R)-1-hydroxyhexadecyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10623041
Tert-butyl 4-(1-hydroxypentyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14189437
Tert-butyl 4-(cyclohexylmethyl)-5-(iodomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 14424782

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (CID 134930963) is tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is CC(C)(C)OC(=O)N1[C@@H]([C@@H](O)C2CCCCC2)COC12CCCCC2.
What is the InChIKey of tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is XATDHCHRYWDCHH-SJORKVTESA-N. The full InChI is InChI=1S/C20H35NO4/c1-19(2,3)25-18(23)21-16(17(22)15-10-6-4-7-11-15)14-24-20(21)12-8-5-9-13-20/h15-17,22H,4-14H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 353.50 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(S)-cyclohexyl(hydroxy)methyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 134930963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).