methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate

C10H12N4O3 — CID 54915091

IUPACmethyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
SMILESCOC(=O)CC(C)n1nnc(-c2ccco2)n1
InChIInChI=1S/C10H12N4O3/c1-7(6-9(15)16-2)14-12-10(11-13-14)8-4-3-5-17-8/h3-5,7H,6H2,1-2H3
InChIKeyGOHXWOADYULKOF-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate

methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate (PubChem CID 54915091) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate.

Molecular Properties

Compound Namemethyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
PubChem CID54915091
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Namemethyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
SMILESCOC(=O)CC(C)n1nnc(-c2ccco2)n1
InChIInChI=1S/C10H12N4O3/c1-7(6-9(15)16-2)14-12-10(11-13-14)8-4-3-5-17-8/h3-5,7H,6H2,1-2H3
InChIKeyGOHXWOADYULKOF-UHFFFAOYSA-N
XLogP1.06
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
2-[5-(furan-2-yl)tetrazol-2-yl]-3-methoxypropanoic acid
CID 103224370
N-[2-[5-(furan-2-yl)tetrazol-2-yl]propyl]pentan-3-amine
CID 62567377
2-[5-(furan-2-yl)tetrazol-2-yl]-1-phenylpropan-1-one
CID 62024913
2-[5-(furan-2-yl)tetrazol-2-yl]pentanehydrazide
CID 83048207
2-fluoro-2-[5-(furan-2-yl)tetrazol-2-yl]acetic acid
CID 81298403
methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
CID 43431769
methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
CID 61409630
1-(5-chlorothiophen-2-yl)-2-[5-(furan-2-yl)tetrazol-2-yl]propan-1-one
CID 62025284
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate?
The IUPAC name of methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate (CID 54915091) is methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate.
What is the SMILES notation for methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate?
The canonical SMILES for methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate is COC(=O)CC(C)n1nnc(-c2ccco2)n1.
What is the InChIKey of methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate?
The InChIKey is GOHXWOADYULKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-7(6-9(15)16-2)14-12-10(11-13-14)8-4-3-5-17-8/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate?
methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate has a molecular weight of 236.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate is sourced from PubChem (CID 54915091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).