3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid

C12H14N4O3 — CID 104572862

IUPAC3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1nnnn1C
InChIInChI=1S/C12H14N4O3/c1-16-11(13-14-15-16)9(12(17)18)7-8-5-3-4-6-10(8)19-2/h3-6,9H,7H2,1-2H3,(H,17,18)
InChIKeyVPWKZPXMYGYYIH-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.63
Rot. Bonds5

About 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid

3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid (PubChem CID 104572862) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
PubChem CID104572862
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
SMILESCOc1ccccc1CC(C(=O)O)c1nnnn1C
InChIInChI=1S/C12H14N4O3/c1-16-11(13-14-15-16)9(12(17)18)7-8-5-3-4-6-10(8)19-2/h3-6,9H,7H2,1-2H3,(H,17,18)
InChIKeyVPWKZPXMYGYYIH-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethylimidazol-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572875
2-(5-chloropyrimidin-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 104572864
2-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]propanoic acid
CID 66042380
2-(4-aminophenyl)-3-(2-methoxyphenyl)propanoic acid
CID 82026703
3-(2-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)propanoic acid
CID 112720015
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
2-(3-hydroxyphenyl)-3-(2-methoxyphenyl)propanoic acid
CID 83951203
N-[(2-methoxyphenyl)methyl]-1-methyltetrazol-5-amine
CID 4727584
2-(5-chloro-3-fluoro-2-pyridinyl)-3-(2-methoxyphenyl)propanoic acid
CID 104572872
N-(diaminomethylidene)-3-(2-methoxyphenyl)-2-phenylpropanamide
CID 90028154
2-[3-(dimethylamino)phenyl]-3-(2-methoxyphenyl)propanoic acid
CID 82140838
4-[(2-methoxyphenyl)methoxy]-1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]piperidine
CID 124621758

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid (CID 104572862) is 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid is COc1ccccc1CC(C(=O)O)c1nnnn1C.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid?
The InChIKey is VPWKZPXMYGYYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16-11(13-14-15-16)9(12(17)18)7-8-5-3-4-6-10(8)19-2/h3-6,9H,7H2,1-2H3,(H,17,18).
What are the key properties of 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid?
3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 104572862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).