methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate

C10H12N6O6 — CID 59153792

IUPACmethyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nnc(C(=O)NCC(=O)OC)nn1
InChIInChI=1S/C10H12N6O6/c1-21-5(17)3-11-9(19)7-13-15-8(16-14-7)10(20)12-4-6(18)22-2/h3-4H2,1-2H3,(H,11,19)(H,12,20)
InChIKeyJKFLGPXLIUJKGZ-UHFFFAOYSA-N
MW312.24 g/mol
LogP-2.93
Rot. Bonds6

About methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate

methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate (PubChem CID 59153792) has the molecular formula C10H12N6O6 and a molecular weight of 312.24 g/mol. Its IUPAC name is methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate
PubChem CID59153792
Molecular FormulaC10H12N6O6
Molecular Weight312.24 g/mol
Exact Mass312.08
IUPAC Namemethyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1nnc(C(=O)NCC(=O)OC)nn1
InChIInChI=1S/C10H12N6O6/c1-21-5(17)3-11-9(19)7-13-15-8(16-14-7)10(20)12-4-6(18)22-2/h3-4H2,1-2H3,(H,11,19)(H,12,20)
InChIKeyJKFLGPXLIUJKGZ-UHFFFAOYSA-N
XLogP-2.93
TPSA162.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 5-2.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[6-(dimethylcarbamoyl)-1,2,4,5-tetrazine-3-carbonyl]amino]acetate
CID 59153694
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
methyl 2-[(2,6-dihydroxybenzoyl)amino]acetate
CID 103890198
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
dimethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]pyridine-2,6-dicarboxylate
CID 139320839
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
methyl 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]acetate
CID 43409090
methyl 2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]acetate
CID 66336334
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate (CID 59153792) is methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)c1nnc(C(=O)NCC(=O)OC)nn1.
What is the InChIKey of methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate?
The InChIKey is JKFLGPXLIUJKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O6/c1-21-5(17)3-11-9(19)7-13-15-8(16-14-7)10(20)12-4-6(18)22-2/h3-4H2,1-2H3,(H,11,19)(H,12,20).
What are the key properties of methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate?
methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate has a molecular weight of 312.24 g/mol, XLogP of -2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-methoxy-2-oxoethyl)carbamoyl]-1,2,4,5-tetrazine-3-carbonyl]amino]acetate is sourced from PubChem (CID 59153792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).