2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid

C15H18N4O2 — CID 107127904

IUPAC2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid
SMILESCC(Cn1nnnc1C1CCc2ccccc2C1)C(=O)O
InChIInChI=1S/C15H18N4O2/c1-10(15(20)21)9-19-14(16-17-18-19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,20,21)
InChIKeySPBIJPDTYPKPLV-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid

2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid (PubChem CID 107127904) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid
PubChem CID107127904
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid
SMILESCC(Cn1nnnc1C1CCc2ccccc2C1)C(=O)O
InChIInChI=1S/C15H18N4O2/c1-10(15(20)21)9-19-14(16-17-18-19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,20,21)
InChIKeySPBIJPDTYPKPLV-UHFFFAOYSA-N
XLogP1.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid (CID 107127904) is 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid is CC(Cn1nnnc1C1CCc2ccccc2C1)C(=O)O.
What is the InChIKey of 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid?
The InChIKey is SPBIJPDTYPKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(15(20)21)9-19-14(16-17-18-19)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,10,13H,6-9H2,1H3,(H,20,21).
What are the key properties of 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid?
2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid has a molecular weight of 286.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)tetrazol-1-yl]propanoic acid is sourced from PubChem (CID 107127904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).