methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate

C12H21NO2 — CID 130161407

IUPACmethyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
SMILESCOC(=O)C(C)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H21NO2/c1-10(11(14)15-2)13-8-7-12(9-13)5-3-4-6-12/h10H,3-9H2,1-2H3
InChIKeyVQFLOMJVVQOLAG-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds2

About methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate

methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate (PubChem CID 130161407) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
PubChem CID130161407
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namemethyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
SMILESCOC(=O)C(C)N1CCC2(CCCC2)C1
InChIInChI=1S/C12H21NO2/c1-10(11(14)15-2)13-8-7-12(9-13)5-3-4-6-12/h10H,3-9H2,1-2H3
InChIKeyVQFLOMJVVQOLAG-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
CID 79414044
2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 102558215
methyl 2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)propanoate
CID 4692747
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate
CID 63158633
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate
CID 112740327
methyl 2-(2,2-dimethyl-1,4-oxazepan-4-yl)propanoate
CID 130671460
methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
CID 103994008
ethane;2-propan-2-yl-2-azaspiro[4.5]decane
CID 144877753
2-(2-azaspiro[4.4]nonan-2-yl)-N-benzylpropanamide
CID 91843313
2-(2-azaspiro[3.4]octan-2-yl)propanoic acid
CID 79686519
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
(2R)-2-amino-1-(2-azaspiro[4.4]nonan-2-yl)propan-1-one
CID 130163238

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate?
The IUPAC name of methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate (CID 130161407) is methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate.
What is the SMILES notation for methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate?
The canonical SMILES for methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate is COC(=O)C(C)N1CCC2(CCCC2)C1.
What is the InChIKey of methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate?
The InChIKey is VQFLOMJVVQOLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(11(14)15-2)13-8-7-12(9-13)5-3-4-6-12/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate?
methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate has a molecular weight of 211.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate is sourced from PubChem (CID 130161407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).