Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate

C₁₁H₁₃N₅O₄ — CID 43431769

About Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate

Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate (PubChem CID 43431769) has the molecular formula C₁₁H₁₃N₅O₄ and a molecular weight of 279.26 g/mol. Its IUPAC name is methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate.

Molecular Properties

• Compound Name: Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
• PubChem CID: 43431769
• Molecular Formula: C₁₁H₁₃N₅O₄
• Molecular Weight: 279.26 g/mol
• Exact Mass: 279.10
• IUPAC Name: methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
• SMILES: COC(=O)CN(C)C(=O)Cn1nnc(-c2ccco2)n1
• InChI: InChI=1S/C11H13N5O4/c1-15(7-10(18)19-2)9(17)6-16-13-11(12-14-16)8-4-3-5-20-8/h3-5H,6-7H2,1-2H3
• InChIKey: VMNVIMDZROHUFI-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 103.35 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.26
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate?

The IUPAC name of Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate (CID 43431769) is methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate.

What is the SMILES notation for Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate?

The canonical SMILES for Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cn1nnc(-c2ccco2)n1.

What is the InChIKey of Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate?

The InChIKey is VMNVIMDZROHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O4/c1-15(7-10(18)19-2)9(17)6-16-13-11(12-14-16)8-4-3-5-20-8/h3-5H,6-7H2,1-2H3.

What are the key properties of Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate?

Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate has a molecular weight of 279.26 g/mol, XLogP of -0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate is sourced from PubChem (CID 43431769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43431769 — identifiers, structure, computed properties (public domain)

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