tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate

C16H29NO4 — CID 163207408

IUPACtert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCOC1CC2(CCN(C(=O)OC(C)(C)C)C(CCO)C2)C1
InChIInChI=1S/C16H29NO4/c1-15(2,3)21-14(19)17-7-6-16(9-12(17)5-8-18)10-13(11-16)20-4/h12-13,18H,5-11H2,1-4H3
InChIKeyQKPFXIGROPLVEK-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.56
Rot. Bonds3

About tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 163207408) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID163207408
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCOC1CC2(CCN(C(=O)OC(C)(C)C)C(CCO)C2)C1
InChIInChI=1S/C16H29NO4/c1-15(2,3)21-14(19)17-7-6-16(9-12(17)5-8-18)10-13(11-16)20-4/h12-13,18H,5-11H2,1-4H3
InChIKeyQKPFXIGROPLVEK-UHFFFAOYSA-N
XLogP2.56
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 58617998
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CID 177223139
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
tert-butyl 2-(2-hydroxyethyl)-4-oxopiperidine-1-carboxylate
CID 167717714
tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-6-formyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 174050124
tert-butyl (2S,4S)-4-amino-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 156892220
tert-butyl 5-(2-hydroxyethyl)-1,4-oxazepane-4-carboxylate
CID 141310875
tert-butyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 170939015
tert-butyl 7-[[(4,6-difluoropyrimidin-2-yl)amino]methyl]-6-azaspiro[2.5]octane-6-carboxylate
CID 67497787
(7S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
CID 66848235
tert-butyl 2-methoxy-8-azadispiro[3.1.36.14]decane-8-carboxylate
CID 167742184

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate (CID 163207408) is tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate is COC1CC2(CCN(C(=O)OC(C)(C)C)C(CCO)C2)C1.
What is the InChIKey of tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is QKPFXIGROPLVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-15(2,3)21-14(19)17-7-6-16(9-12(17)5-8-18)10-13(11-16)20-4/h12-13,18H,5-11H2,1-4H3.
What are the key properties of tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-hydroxyethyl)-2-methoxy-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 163207408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).