methyl 7-azaspiro[3.5]nonane-7-carboxylate

C10H17NO2 — CID 130662307

IUPACmethyl 7-azaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C10H17NO2/c1-13-9(12)11-7-5-10(6-8-11)3-2-4-10/h2-8H2,1H3
InChIKeyKFKYTWIDBRBBFV-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.02
Rot. Bonds

About methyl 7-azaspiro[3.5]nonane-7-carboxylate

methyl 7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 130662307) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl 7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID130662307
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 7-azaspiro[3.5]nonane-7-carboxylate
SMILESCOC(=O)N1CCC2(CCC2)CC1
InChIInChI=1S/C10H17NO2/c1-13-9(12)11-7-5-10(6-8-11)3-2-4-10/h2-8H2,1H3
InChIKeyKFKYTWIDBRBBFV-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 2-methyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3234397
Tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
Tert-butyl 2-fluoro-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275419
Methyl 4-(2-methylpropyl)piperidine-1-carboxylate
CID 14114666
Methyl 4-butan-2-ylpiperidine-1-carboxylate
CID 14114667
6-Azaspiro[3.5]nonane-6-carboxylic acid, 2-fluoro-, 1,1-dimethylethyl ester
CID 129317709
Methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 20811849
Methyl 4-butylpiperidine-1-carboxylate
CID 22970151
Methyl 4-propylpiperidine-1-carboxylate
CID 53963222
Methyl 4-ethylpiperidine-1-carboxylate
CID 54352911
Methyl 4-(3-methylbutyl)piperidine-1-carboxylate
CID 57917018
Methyl 3-ethylpiperidine-1-carboxylate
CID 58110406

Frequently Asked Questions

What is the IUPAC name of methyl 7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of methyl 7-azaspiro[3.5]nonane-7-carboxylate (CID 130662307) is methyl 7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for methyl 7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for methyl 7-azaspiro[3.5]nonane-7-carboxylate is COC(=O)N1CCC2(CCC2)CC1.
What is the InChIKey of methyl 7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is KFKYTWIDBRBBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-9(12)11-7-5-10(6-8-11)3-2-4-10/h2-8H2,1H3.
What are the key properties of methyl 7-azaspiro[3.5]nonane-7-carboxylate?
methyl 7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 130662307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).