ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate

C15H28N2O2 — CID 102850302

IUPACethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-13(14(18)19-4-2)17-10-6-8-15(12-17)7-5-9-16-11-15/h13,16H,3-12H2,1-2H3
InChIKeyQTNRUUJLEYJNFS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate

ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate (PubChem CID 102850302) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
PubChem CID102850302
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate
SMILESCCOC(=O)C(CC)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H28N2O2/c1-3-13(14(18)19-4-2)17-10-6-8-15(12-17)7-5-9-16-11-15/h13,16H,3-12H2,1-2H3
InChIKeyQTNRUUJLEYJNFS-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-hydroxy-4-methylazepan-1-yl)butanoate
CID 107405138
ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate
CID 102850177
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
2-(2,8-diazaspiro[5.5]undecan-2-yl)-1-piperidin-1-ylpropan-1-one
CID 102850231
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 102850283
8-propan-2-yl-2,8-diazaspiro[5.6]dodecane
CID 168995740
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
CID 102850257
2-(2,8-diazaspiro[5.5]undecan-2-yl)-N-(methylcarbamoyl)propanamide
CID 102850280
N-butan-2-yl-2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850222
2-(2,8-diazaspiro[5.5]undecan-2-yl)acetamide
CID 102850141
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate?
The IUPAC name of ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate (CID 102850302) is ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate.
What is the SMILES notation for ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate?
The canonical SMILES for ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate is CCOC(=O)C(CC)N1CCCC2(CCCNC2)C1.
What is the InChIKey of ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate?
The InChIKey is QTNRUUJLEYJNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-13(14(18)19-4-2)17-10-6-8-15(12-17)7-5-9-16-11-15/h13,16H,3-12H2,1-2H3.
What are the key properties of ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate?
ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,8-diazaspiro[5.5]undecan-2-yl)butanoate is sourced from PubChem (CID 102850302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).