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

C11H13N5O4 — CID 43431769

IUPACmethyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=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
InChIKeyVMNVIMDZROHUFI-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.44
Rot. Bonds5

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 Namemethyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
PubChem CID43431769
Molecular FormulaC11H13N5O4
Molecular Weight279.26 g/mol
Exact Mass279.10
IUPAC Namemethyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=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
InChIKeyVMNVIMDZROHUFI-UHFFFAOYSA-N
XLogP-0.44
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate with MolForge

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Related Compounds

methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
CID 61409630
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
CID 61007120
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
CID 54915091
4-[[5-(furan-2-yl)tetrazol-2-yl]methyl]-N-methylbenzamide
CID 136534799
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643437
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343

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).