methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

C10H16N4O3 — CID 129173240

IUPACmethyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCOC(=O)N1CCC2(CC1)N=C(N)N(C)C2=O
InChIInChI=1S/C10H16N4O3/c1-13-7(15)10(12-8(13)11)3-5-14(6-4-10)9(16)17-2/h3-6H2,1-2H3,(H2,11,12)
InChIKeyNPGNZLVIEZNNHN-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.63
Rot. Bonds

About methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate

methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (PubChem CID 129173240) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
PubChem CID129173240
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
SMILESCOC(=O)N1CCC2(CC1)N=C(N)N(C)C2=O
InChIInChI=1S/C10H16N4O3/c1-13-7(15)10(12-8(13)11)3-5-14(6-4-10)9(16)17-2/h3-6H2,1-2H3,(H2,11,12)
InChIKeyNPGNZLVIEZNNHN-UHFFFAOYSA-N
XLogP-0.63
TPSA88.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The IUPAC name of methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate (CID 129173240) is methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate.
What is the SMILES notation for methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The canonical SMILES for methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is COC(=O)N1CCC2(CC1)N=C(N)N(C)C2=O.
What is the InChIKey of methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
The InChIKey is NPGNZLVIEZNNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-13-7(15)10(12-8(13)11)3-5-14(6-4-10)9(16)17-2/h3-6H2,1-2H3,(H2,11,12).
What are the key properties of methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate?
methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate has a molecular weight of 240.26 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-methyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate is sourced from PubChem (CID 129173240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).