ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate

C15H28N2O2 — CID 114279506

IUPACethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate
SMILESCCNC(CN1CCC2(CCCC2)C1)C(=O)OCC
InChIInChI=1S/C15H28N2O2/c1-3-16-13(14(18)19-4-2)11-17-10-9-15(12-17)7-5-6-8-15/h13,16H,3-12H2,1-2H3
InChIKeyWCHKFDXLVCQLPN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds6

About ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate

ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate (PubChem CID 114279506) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate
PubChem CID114279506
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate
SMILESCCNC(CN1CCC2(CCCC2)C1)C(=O)OCC
InChIInChI=1S/C15H28N2O2/c1-3-16-13(14(18)19-4-2)11-17-10-9-15(12-17)7-5-6-8-15/h13,16H,3-12H2,1-2H3
InChIKeyWCHKFDXLVCQLPN-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
3-(2-azaspiro[4.4]nonan-2-yl)-2-(cyclopropylamino)propanoic acid
CID 114279502
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
CID 55156311
(2S)-1-(2-azaspiro[4.5]decan-2-yl)propan-2-amine
CID 130516410
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454
methyl 3-(8-azaspiro[4.5]decan-8-yl)-2-(cyclopropylamino)propanoate
CID 63160319
methyl 3-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpropanoate
CID 102850257
ethyl 2-(7-azaspiro[3.5]nonan-7-yl)acetate
CID 71244403
2-(2-azaspiro[4.5]decan-2-ylmethyl)pentane-1-thiol
CID 114279629
2-(ethylamino)-1-piperidin-1-ylpentan-3-one
CID 71154517
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate?
The IUPAC name of ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate (CID 114279506) is ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate is CCNC(CN1CCC2(CCCC2)C1)C(=O)OCC.
What is the InChIKey of ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate?
The InChIKey is WCHKFDXLVCQLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-16-13(14(18)19-4-2)11-17-10-9-15(12-17)7-5-6-8-15/h13,16H,3-12H2,1-2H3.
What are the key properties of ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate?
ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-azaspiro[4.4]nonan-2-yl)-2-(ethylamino)propanoate is sourced from PubChem (CID 114279506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).