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

C16H29NO2 — CID 79414044

IUPACmethyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-13(15(18)19-3)14(2)17-11-9-16(10-12-17)7-5-4-6-8-16/h13-14H,4-12H2,1-3H3
InChIKeyOJNNPSSIPXGEFO-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds3

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

methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate (PubChem CID 79414044) 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-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
PubChem CID79414044
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Namemethyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H29NO2/c1-13(15(18)19-3)14(2)17-11-9-16(10-12-17)7-5-4-6-8-16/h13-14H,4-12H2,1-3H3
InChIKeyOJNNPSSIPXGEFO-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

Analyze methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate with MolForge

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Related Compounds

methyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 81097557
methyl 3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutanoate
CID 107456494
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate
CID 112740327
methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
methyl 3-(4-aminopiperidin-1-yl)-2-methylbutanoate
CID 79406986
methyl 2-methyl-3-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 103498157
3-(8-azaspiro[4.5]decan-8-yl)butan-2-ol
CID 63158941
methyl 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-methylbutanoate
CID 79414347
methyl 2-amino-4-(3-azaspiro[5.5]undecan-3-yl)butanoate
CID 63055400
methyl 4-(8-azaspiro[4.5]decan-8-yl)-2-(propan-2-ylamino)butanoate
CID 63159718
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-methylbutanoate
CID 115560448
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate?
The IUPAC name of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate (CID 79414044) is methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate?
The canonical SMILES for methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate is COC(=O)C(C)C(C)N1CCC2(CCCCC2)CC1.
What is the InChIKey of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate?
The InChIKey is OJNNPSSIPXGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(15(18)19-3)14(2)17-11-9-16(10-12-17)7-5-4-6-8-16/h13-14H,4-12H2,1-3H3.
What are the key properties of methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate?
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate 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-methylbutanoate is sourced from PubChem (CID 79414044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).