tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate

C14H25NO4 — CID 170924654

IUPACtert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate
SMILESC[C@@H]1ONC2(CCC(C(=O)OC(C)(C)C)CC2)C1O
InChIInChI=1S/C14H25NO4/c1-9-11(16)14(15-19-9)7-5-10(6-8-14)12(17)18-13(2,3)4/h9-11,15-16H,5-8H2,1-4H3/t9-,10?,11?,14?/m0/s1
InChIKeyFAAOEGPYRCZXMM-ICYBPSJXSA-N
MW271.36 g/mol
LogP1.54
Rot. Bonds1

About tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate

tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate (PubChem CID 170924654) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate
PubChem CID170924654
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate
SMILESC[C@@H]1ONC2(CCC(C(=O)OC(C)(C)C)CC2)C1O
InChIInChI=1S/C14H25NO4/c1-9-11(16)14(15-19-9)7-5-10(6-8-14)12(17)18-13(2,3)4/h9-11,15-16H,5-8H2,1-4H3/t9-,10?,11?,14?/m0/s1
InChIKeyFAAOEGPYRCZXMM-ICYBPSJXSA-N
XLogP1.54
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl cyclopropanecarboxylate
CID 157212632
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CID 141217808
tert-butyl (3S)-1-azaspiro[2.4]heptane-5-carboxylate
CID 155229416
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl 1,2-diazaspiro[4.5]decane-8-carboxylate
CID 91033663
tert-butyl cyclododecanecarboxylate
CID 154013086
4-O-tert-butyl 1-O-methyl 1-hydroxycyclohexane-1,4-dicarboxylate
CID 146665710
tert-butyl thiane-4-carboxylate
CID 118666343
tert-butyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 175169116
tert-butyl cyclopropanecarboxylate;oxane
CID 142447731
tert-butyl 1,9-diazaspiro[5.5]undecane-3-carboxylate
CID 71307754
tert-butyl (1S)-3,4-dimethylcyclohexane-1-carboxylate
CID 118389091

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate (CID 170924654) is tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate is C[C@@H]1ONC2(CCC(C(=O)OC(C)(C)C)CC2)C1O.
What is the InChIKey of tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is FAAOEGPYRCZXMM-ICYBPSJXSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9-11(16)14(15-19-9)7-5-10(6-8-14)12(17)18-13(2,3)4/h9-11,15-16H,5-8H2,1-4H3/t9-,10?,11?,14?/m0/s1.
What are the key properties of tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate?
tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-4-hydroxy-3-methyl-2-oxa-1-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 170924654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).