2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid

C10H10N4O3 — CID 1134043

IUPAC2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C10H10N4O3/c1-17-8-4-2-7(3-5-8)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyPEFSKJRSHHKJPF-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.43
Rot. Bonds4

About 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid

2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid (PubChem CID 1134043) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid
PubChem CID1134043
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid
SMILESCOc1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C10H10N4O3/c1-17-8-4-2-7(3-5-8)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyPEFSKJRSHHKJPF-UHFFFAOYSA-N
XLogP0.43
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid (CID 1134043) is 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid is COc1ccc(-c2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid?
The InChIKey is PEFSKJRSHHKJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-17-8-4-2-7(3-5-8)10-11-13-14(12-10)6-9(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid?
2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid has a molecular weight of 234.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyphenyl)tetrazol-2-yl]acetic acid is sourced from PubChem (CID 1134043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).