ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate

C10H18N2O2 — CID 82038278

IUPACethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCCOC(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C10H18N2O2/c1-2-14-9(13)12-6-4-10(8-12)3-5-11-7-10/h11H,2-8H2,1H3
InChIKeyXTKLRALDNRTFCM-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.83
Rot. Bonds1

About ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate

ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 82038278) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID82038278
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCCOC(=O)N1CCC2(CCNC2)C1
InChIInChI=1S/C10H18N2O2/c1-2-14-9(13)12-6-4-10(8-12)3-5-11-7-10/h11H,2-8H2,1H3
InChIKeyXTKLRALDNRTFCM-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 130525692
(2S)-2-amino-1-(2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one;hydrochloride
CID 130927327
ethyl 2-oxo-6-azaspiro[3.4]octane-6-carboxylate
CID 118294701
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methylpropan-1-one;hydrochloride
CID 169493333
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(2-methoxyethoxy)ethanone
CID 82038244
1-(2,8-diazaspiro[4.5]decan-8-yl)propan-1-one;hydrochloride
CID 130744658
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
(2-bromophenyl) 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 116820006
2-methylpropyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 97449150
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl 4-[[(5S)-2,9-diazaspiro[4.5]decane-2-carbonyl]amino]benzoate
CID 95221832

Frequently Asked Questions

What is the IUPAC name of ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 82038278) is ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate is CCOC(=O)N1CCC2(CCNC2)C1.
What is the InChIKey of ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is XTKLRALDNRTFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-14-9(13)12-6-4-10(8-12)3-5-11-7-10/h11H,2-8H2,1H3.
What are the key properties of ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate?
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 198.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 82038278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).