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

C14H26N2O2 — CID 102850257

IUPACmethyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-12(13(17)18-2)9-16-8-4-6-14(11-16)5-3-7-15-10-14/h12,15H,3-11H2,1-2H3
InChIKeyXMXNOKNCLXMULX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds3

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

methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate (PubChem CID 102850257) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
PubChem CID102850257
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H26N2O2/c1-12(13(17)18-2)9-16-8-4-6-14(11-16)5-3-7-15-10-14/h12,15H,3-11H2,1-2H3
InChIKeyXMXNOKNCLXMULX-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141
N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850222
ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate
CID 102850177
1-butoxy-3-(2,8-diazaspiro[5.5]undecan-2-yl)propan-2-ol
CID 107264247
methyl 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)furan-2-carboxylate
CID 102850104
2-(2-phenylpropyl)-2,8-diazaspiro[5.5]undecane
CID 102849255
methyl 2-methyl-3-(3-oxo-1,4-diazepan-1-yl)propanoate
CID 65366327
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
6-(2,8-diazaspiro[5.5]undecan-2-yl)hexan-1-ol
CID 107705688
2-(3-ethoxypropyl)-2,8-diazaspiro[5.5]undecane
CID 102850195
ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
CID 102850302
2-(cyclobutylmethyl)-2,8-diazaspiro[5.5]undecane
CID 102849456

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate (CID 102850257) is methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate is COC(=O)C(C)CN1CCCC2(CCCNC2)C1.
What is the InChIKey of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate?
The InChIKey is XMXNOKNCLXMULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(13(17)18-2)9-16-8-4-6-14(11-16)5-3-7-15-10-14/h12,15H,3-11H2,1-2H3.
What are the key properties of methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate?
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate has a molecular weight of 254.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate is sourced from PubChem (CID 102850257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).