ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate

C16H24N4O3 — CID 169211132

IUPACethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1N1CCC2(CC1)COCC2N
InChIInChI=1S/C16H24N4O3/c1-3-23-15(21)13-14(19-11(2)8-18-13)20-6-4-16(5-7-20)10-22-9-12(16)17/h8,12H,3-7,9-10,17H2,1-2H3
InChIKeyMLYCRFAWUJILAO-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.91
Rot. Bonds3

About ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate

ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate (PubChem CID 169211132) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate
PubChem CID169211132
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Nameethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate
SMILESCCOC(=O)c1ncc(C)nc1N1CCC2(CC1)COCC2N
InChIInChI=1S/C16H24N4O3/c1-3-23-15(21)13-14(19-11(2)8-18-13)20-6-4-16(5-7-20)10-22-9-12(16)17/h8,12H,3-7,9-10,17H2,1-2H3
InChIKeyMLYCRFAWUJILAO-UHFFFAOYSA-N
XLogP0.91
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 6-bromo-5-methyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrazine-2-carboxylate
CID 145442901
methyl 5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylate
CID 155774173
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
[3-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(1,3-benzoxazol-6-yl)-5-methylpyrazin-2-yl]methanol
CID 139309987
5-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carboxylic acid
CID 175463003
ethyl 3-[(4R)-4-aminospiro[4,6-dihydropyrrolo[1,2-b]pyrazole-5,4'-piperidine]-1'-yl]-5-methyl-6-(2-methylpyrazol-3-yl)sulfanylpyrazine-2-carboxylate
CID 172548134
ethyl 6-bromo-3-[(3S,4S)-4-[[(R)-tert-butylsulfinyl]amino]-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazine-2-carboxylate
CID 164540381
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
CID 69361208
[(1R)-1'-[3-(hydroxymethyl)-6-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
CID 139512207
ethyl 6-(3-chloro-2-methoxy-4-pyridinyl)-3-(4,4-dimethylpiperidin-1-yl)-5-methylpyrazine-2-carboxylate
CID 163576504

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
The IUPAC name of ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate (CID 169211132) is ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate is CCOC(=O)c1ncc(C)nc1N1CCC2(CC1)COCC2N.
What is the InChIKey of ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
The InChIKey is MLYCRFAWUJILAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-23-15(21)13-14(19-11(2)8-18-13)20-6-4-16(5-7-20)10-22-9-12(16)17/h8,12H,3-7,9-10,17H2,1-2H3.
What are the key properties of ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate?
ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl)-5-methylpyrazine-2-carboxylate is sourced from PubChem (CID 169211132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).