methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate

C16H29NO2 — CID 79620588

IUPACmethyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-15(2,14(18)19-3)13-17-11-9-16(10-12-17)7-5-4-6-8-16/h4-13H2,1-3H3
InChIKeyNPKLBMCCIGMOFL-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds3

About methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate

methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate (PubChem CID 79620588) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
PubChem CID79620588
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-15(2,14(18)19-3)13-17-11-9-16(10-12-17)7-5-4-6-8-16/h4-13H2,1-3H3
InChIKeyNPKLBMCCIGMOFL-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
CID 55157662
4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
CID 66452950
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363
methyl 3-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylpropanoate
CID 79621757
methyl 3-(4-tert-butylpiperazin-1-yl)-2,2-dimethylpropanoate
CID 79621520
methyl 2,2-dimethyl-3-(1,4-oxazepan-4-yl)propanoate
CID 79620916
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(methylamino)propanoic acid
CID 63159460
methyl 3-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropanoate
CID 79620337
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63159759
3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
methyl 3-(3,4-dihydroxypyrrolidin-1-yl)-2,2-dimethylpropanoate
CID 106670150
3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 63494708

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate (CID 79620588) is methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate?
The InChIKey is NPKLBMCCIGMOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-15(2,14(18)19-3)13-17-11-9-16(10-12-17)7-5-4-6-8-16/h4-13H2,1-3H3.
What are the key properties of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate?
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate has a molecular weight of 267.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate is sourced from PubChem (CID 79620588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).