2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid

C9H10N4O2S — CID 66041797

IUPAC2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C9H10N4O2S/c1-9(2,8(14)15)13-7(10-11-12-13)6-3-4-16-5-6/h3-5H,1-2H3,(H,14,15)
InChIKeyIVPGOYAZFHLGML-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.22
Rot. Bonds3

About 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid

2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid (PubChem CID 66041797) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid
PubChem CID66041797
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nnnc1-c1ccsc1
InChIInChI=1S/C9H10N4O2S/c1-9(2,8(14)15)13-7(10-11-12-13)6-3-4-16-5-6/h3-5H,1-2H3,(H,14,15)
InChIKeyIVPGOYAZFHLGML-UHFFFAOYSA-N
XLogP1.22
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid (CID 66041797) is 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1nnnc1-c1ccsc1.
What is the InChIKey of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
The InChIKey is IVPGOYAZFHLGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-9(2,8(14)15)13-7(10-11-12-13)6-3-4-16-5-6/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid?
2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid has a molecular weight of 238.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-thiophen-3-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66041797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).