2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid

C13H17N5O2 — CID 66042002

IUPAC2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid
SMILESCN(C)c1cccc(-c2nnnn2C(C)(C)C(=O)O)c1
InChIInChI=1S/C13H17N5O2/c1-13(2,12(19)20)18-11(14-15-16-18)9-6-5-7-10(8-9)17(3)4/h5-8H,1-4H3,(H,19,20)
InChIKeyQASZZCQMMAPXFM-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.23
Rot. Bonds4

About 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid

2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid (PubChem CID 66042002) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid
PubChem CID66042002
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid
SMILESCN(C)c1cccc(-c2nnnn2C(C)(C)C(=O)O)c1
InChIInChI=1S/C13H17N5O2/c1-13(2,12(19)20)18-11(14-15-16-18)9-6-5-7-10(8-9)17(3)4/h5-8H,1-4H3,(H,19,20)
InChIKeyQASZZCQMMAPXFM-UHFFFAOYSA-N
XLogP1.23
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid (CID 66042002) is 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid is CN(C)c1cccc(-c2nnnn2C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid?
The InChIKey is QASZZCQMMAPXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-13(2,12(19)20)18-11(14-15-16-18)9-6-5-7-10(8-9)17(3)4/h5-8H,1-4H3,(H,19,20).
What are the key properties of 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid?
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 66042002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).