methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate

C9H16N2O2 — CID 83906845

IUPACmethyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCOC(=O)N1CC2(CCCNC2)C1
InChIInChI=1S/C9H16N2O2/c1-13-8(12)11-6-9(7-11)3-2-4-10-5-9/h10H,2-7H2,1H3
InChIKeyWTIRUKTXWBVEQB-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.44
Rot. Bonds

About methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate

methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 83906845) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID83906845
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namemethyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCOC(=O)N1CC2(CCCNC2)C1
InChIInChI=1S/C9H16N2O2/c1-13-8(12)11-6-9(7-11)3-2-4-10-5-9/h10H,2-7H2,1H3
InChIKeyWTIRUKTXWBVEQB-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
tert-butyl 8-oxa-2,11-diazaspiro[5.6]dodecane-11-carboxylate
CID 71305747
1-(2,9-diazaspiro[4.5]decan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 56755922
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
2,8-diazaspiro[3.5]nonan-2-yl-(3-methylpiperidin-2-yl)methanone
CID 155960810
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
CID 102850257

Frequently Asked Questions

What is the IUPAC name of methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate (CID 83906845) is methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate is COC(=O)N1CC2(CCCNC2)C1.
What is the InChIKey of methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is WTIRUKTXWBVEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-8(12)11-6-9(7-11)3-2-4-10-5-9/h10H,2-7H2,1H3.
What are the key properties of methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate?
methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 83906845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).