2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid

C12H14N4O3 — CID 66042380

IUPAC2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
SMILESCOc1ccccc1Cc1nnnn1C(C)C(=O)O
InChIInChI=1S/C12H14N4O3/c1-8(12(17)18)16-11(13-14-15-16)7-9-5-3-4-6-10(9)19-2/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyDDKVEBZQWYRWRC-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.92
Rot. Bonds5

About 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid

2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid (PubChem CID 66042380) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
PubChem CID66042380
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
SMILESCOc1ccccc1Cc1nnnn1C(C)C(=O)O
InChIInChI=1S/C12H14N4O3/c1-8(12(17)18)16-11(13-14-15-16)7-9-5-3-4-6-10(9)19-2/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyDDKVEBZQWYRWRC-UHFFFAOYSA-N
XLogP0.92
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 84758975
3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572862
2-[5-(cyclopropylmethyl)tetrazol-1-yl]propanoic acid
CID 66041782
2-[5-(3-methylbutyl)tetrazol-1-yl]propanoic acid
CID 66041379
2-[5-[(5-bromo-2-methoxyphenyl)methyl]tetrazol-1-yl]-N-methyl-N-(1-phenylethyl)acetamide
CID 102563822
2-[5-(3,4,5-trimethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 54345783
4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541593
3-[5-(2,6-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66044352
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-[1-[(2-methoxyphenyl)methyl]isoquinolin-4-yl]propanoic acid
CID 67425908
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
CID 82225898
3-methyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]pentanoic acid
CID 82225842

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid (CID 66042380) is 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid is COc1ccccc1Cc1nnnn1C(C)C(=O)O.
What is the InChIKey of 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
The InChIKey is DDKVEBZQWYRWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(12(17)18)16-11(13-14-15-16)7-9-5-3-4-6-10(9)19-2/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid?
2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66042380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).