methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate

C14H26N2O3 — CID 102850460

IUPACmethyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(18,12(17)19-2)10-16-8-4-6-14(11-16)5-3-7-15-9-14/h15,18H,3-11H2,1-2H3
InChIKeyMRUGRRUKMKWVQE-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.38
Rot. Bonds3

About methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate

methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate (PubChem CID 102850460) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate
PubChem CID102850460
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O3/c1-13(18,12(17)19-2)10-16-8-4-6-14(11-16)5-3-7-15-9-14/h15,18H,3-11H2,1-2H3
InChIKeyMRUGRRUKMKWVQE-UHFFFAOYSA-N
XLogP0.38
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate?
The IUPAC name of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate (CID 102850460) is methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate?
The canonical SMILES for methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate is COC(=O)C(C)(O)CN1CCCC2(CCCNC2)C1.
What is the InChIKey of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate?
The InChIKey is MRUGRRUKMKWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(18,12(17)19-2)10-16-8-4-6-14(11-16)5-3-7-15-9-14/h15,18H,3-11H2,1-2H3.
What are the key properties of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate?
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate has a molecular weight of 270.37 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 102850460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).