ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate

C11H13N7O5 — CID 10663669

IUPACethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C11H13N7O5/c1-2-23-7(20)3-13-6(19)4-18-11(22)17-5-14-8(9(12)21)10(17)15-16-18/h5H,2-4H2,1H3,(H2,12,21)(H,13,19)
InChIKeyKTCFZMLEBTZVLV-UHFFFAOYSA-N
MW323.27 g/mol
LogP-2.94
Rot. Bonds6

About ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate

ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate (PubChem CID 10663669) has the molecular formula C11H13N7O5 and a molecular weight of 323.27 g/mol. Its IUPAC name is ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate
PubChem CID10663669
Molecular FormulaC11H13N7O5
Molecular Weight323.27 g/mol
Exact Mass323.10
IUPAC Nameethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1nnc2c(C(N)=O)ncn2c1=O
InChIInChI=1S/C11H13N7O5/c1-2-23-7(20)3-13-6(19)4-18-11(22)17-5-14-8(9(12)21)10(17)15-16-18/h5H,2-4H2,1H3,(H2,12,21)(H,13,19)
InChIKeyKTCFZMLEBTZVLV-UHFFFAOYSA-N
XLogP-2.94
TPSA163.57 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 5-2.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate (CID 10663669) is ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1nnc2c(C(N)=O)ncn2c1=O.
What is the InChIKey of ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate?
The InChIKey is KTCFZMLEBTZVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O5/c1-2-23-7(20)3-13-6(19)4-18-11(22)17-5-14-8(9(12)21)10(17)15-16-18/h5H,2-4H2,1H3,(H2,12,21)(H,13,19).
What are the key properties of ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate?
ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate has a molecular weight of 323.27 g/mol, XLogP of -2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(8-carbamoyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-3-yl)acetyl]amino]acetate is sourced from PubChem (CID 10663669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).