2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid

C11H14N4O3 — CID 19427364

IUPAC2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid
SMILESCCCCc1ccc(-c2nnnn2CC(=O)O)o1
InChIInChI=1S/C11H14N4O3/c1-2-3-4-8-5-6-9(18-8)11-12-13-14-15(11)7-10(16)17/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyDQDUPHJPQFVRJH-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.36
Rot. Bonds6

About 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid

2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid (PubChem CID 19427364) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid
PubChem CID19427364
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid
SMILESCCCCc1ccc(-c2nnnn2CC(=O)O)o1
InChIInChI=1S/C11H14N4O3/c1-2-3-4-8-5-6-9(18-8)11-12-13-14-15(11)7-10(16)17/h5-6H,2-4,7H2,1H3,(H,16,17)
InChIKeyDQDUPHJPQFVRJH-UHFFFAOYSA-N
XLogP1.36
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid (CID 19427364) is 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid is CCCCc1ccc(-c2nnnn2CC(=O)O)o1.
What is the InChIKey of 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid?
The InChIKey is DQDUPHJPQFVRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-2-3-4-8-5-6-9(18-8)11-12-13-14-15(11)7-10(16)17/h5-6H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid?
2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid has a molecular weight of 250.26 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-butylfuran-2-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 19427364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).