3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid

C11H13ClN4O2S — CID 81070225

IUPAC3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1sccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-2-7(5-9(17)18)6-16-11(13-14-15-16)10-8(12)3-4-19-10/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyQNLUXVAHKLQJLW-UHFFFAOYSA-N
MW300.77 g/mol
LogP2.56
Rot. Bonds6

About 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid

3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 81070225) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
PubChem CID81070225
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1-c1sccc1Cl
InChIInChI=1S/C11H13ClN4O2S/c1-2-7(5-9(17)18)6-16-11(13-14-15-16)10-8(12)3-4-19-10/h3-4,7H,2,5-6H2,1H3,(H,17,18)
InChIKeyQNLUXVAHKLQJLW-UHFFFAOYSA-N
XLogP2.56
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid (CID 81070225) is 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1-c1sccc1Cl.
What is the InChIKey of 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is QNLUXVAHKLQJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-2-7(5-9(17)18)6-16-11(13-14-15-16)10-8(12)3-4-19-10/h3-4,7H,2,5-6H2,1H3,(H,17,18).
What are the key properties of 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 300.77 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-chlorothiophen-2-yl)tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 81070225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).