methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate

C13H24N2O2 — CID 112740327

IUPACmethyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCC2(CCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(12(16)17-3)11(2)15-7-5-13(9-15)4-6-14-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyGDWZBYYIMHIWLD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.87
Rot. Bonds3

About methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate

methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate (PubChem CID 112740327) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate
PubChem CID112740327
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)N1CCC2(CCNC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(12(16)17-3)11(2)15-7-5-13(9-15)4-6-14-8-13/h10-11,14H,4-9H2,1-3H3
InChIKeyGDWZBYYIMHIWLD-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate with MolForge

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Related Compounds

methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2-methylbutanoate
CID 79414044
1-(2,7-diazaspiro[4.4]nonan-2-yl)ethanamine
CID 163884377
2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 58821247
methyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 81097557
methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
CID 130927327
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
CID 169493333
methyl 2-methyl-3-(3,3,4-trimethylpiperazin-1-yl)butanoate
CID 79414279
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
methyl 3-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylbutanoate
CID 107456494
methyl 3-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-methylbutanoate
CID 79414347
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
CID 102850257

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate?
The IUPAC name of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate (CID 112740327) is methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate.
What is the SMILES notation for methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate?
The canonical SMILES for methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate is COC(=O)C(C)C(C)N1CCC2(CCNC2)C1.
What is the InChIKey of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate?
The InChIKey is GDWZBYYIMHIWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(12(16)17-3)11(2)15-7-5-13(9-15)4-6-14-8-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate?
methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate has a molecular weight of 240.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylbutanoate is sourced from PubChem (CID 112740327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).