2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid

C13H16N4O3 — CID 66042374

IUPAC2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid
SMILESCc1cccc(OCCc2nnnn2C(C)C(=O)O)c1
InChIInChI=1S/C13H16N4O3/c1-9-4-3-5-11(8-9)20-7-6-12-14-15-16-17(12)10(2)13(18)19/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKeyXXBYDSBALNNNCB-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.25
Rot. Bonds6

About 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid

2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid (PubChem CID 66042374) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid
PubChem CID66042374
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid
SMILESCc1cccc(OCCc2nnnn2C(C)C(=O)O)c1
InChIInChI=1S/C13H16N4O3/c1-9-4-3-5-11(8-9)20-7-6-12-14-15-16-17(12)10(2)13(18)19/h3-5,8,10H,6-7H2,1-2H3,(H,18,19)
InChIKeyXXBYDSBALNNNCB-UHFFFAOYSA-N
XLogP1.25
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 82225903
3-[5-[2-(3-methylphenyl)ethyl]tetrazol-1-yl]butanoic acid
CID 66043236
2-[2-(3-methylphenoxy)ethyl]pyrimidine-5-carboxylic acid
CID 82168732
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
CID 79317699
3-methyl-4-[5-(2-phenoxyethyl)tetrazol-1-yl]butanoic acid
CID 81067843
2-[3-(3-methylphenoxy)propylsulfonyl]propanoic acid
CID 82180795
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
2-[1-[2-(3-methylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116684269
4,6-dimethyl-1-(3-methylphenoxy)heptan-3-one
CID 114285005
4-amino-3-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-thione
CID 29070772
4-[2-(3-methylphenoxy)ethyl]pyridine
CID 64765282
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid (CID 66042374) is 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid is Cc1cccc(OCCc2nnnn2C(C)C(=O)O)c1.
What is the InChIKey of 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid?
The InChIKey is XXBYDSBALNNNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9-4-3-5-11(8-9)20-7-6-12-14-15-16-17(12)10(2)13(18)19/h3-5,8,10H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid?
2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid has a molecular weight of 276.30 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-methylphenoxy)ethyl]tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 66042374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).