methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate

C13H23NO2 — CID 71244313

IUPACmethyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CC(C(C)C)C2
InChIInChI=1S/C13H23NO2/c1-10(2)11-8-13(9-11)4-6-14(7-5-13)12(15)16-3/h10-11H,4-9H2,1-3H3
InChIKeyLKXDOGLDRDKEPA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.90
Rot. Bonds1

About methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate

methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 71244313) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID71244313
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Namemethyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CC1)CC(C(C)C)C2
InChIInChI=1S/C13H23NO2/c1-10(2)11-8-13(9-11)4-6-14(7-5-13)12(15)16-3/h10-11H,4-9H2,1-3H3
InChIKeyLKXDOGLDRDKEPA-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
methyl 2-propan-2-ylspiro[3.5]nonane-7-carboxylate
CID 71244310
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 155006151
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
methyl (3aS,6aR)-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 143839287
methyl 2-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
CID 84668362
methyl 4-propan-2-ylpiperazine-1-carboxylate
CID 59264587
6-propan-2-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 89399831
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251

Frequently Asked Questions

What is the IUPAC name of methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate (CID 71244313) is methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate is COC(=O)N1CCC2(CC1)CC(C(C)C)C2.
What is the InChIKey of methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is LKXDOGLDRDKEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)11-8-13(9-11)4-6-14(7-5-13)12(15)16-3/h10-11H,4-9H2,1-3H3.
What are the key properties of methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate?
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 71244313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).