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

C14H19N5O2 — CID 79791029

IUPAC2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)n1nnnc1-c1cccc(N(C)C)c1
InChIInChI=1S/C14H19N5O2/c1-5-14(2,13(20)21)19-12(15-16-17-19)10-7-6-8-11(9-10)18(3)4/h6-9H,5H2,1-4H3,(H,20,21)
InChIKeyXZESQRFMIDJRHZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.62
Rot. Bonds5

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

2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid (PubChem CID 79791029) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid
PubChem CID79791029
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid
SMILESCCC(C)(C(=O)O)n1nnnc1-c1cccc(N(C)C)c1
InChIInChI=1S/C14H19N5O2/c1-5-14(2,13(20)21)19-12(15-16-17-19)10-7-6-8-11(9-10)18(3)4/h6-9H,5H2,1-4H3,(H,20,21)
InChIKeyXZESQRFMIDJRHZ-UHFFFAOYSA-N
XLogP1.62
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.62
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-methylbutanoic acid?
The IUPAC name of 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid (CID 79791029) is 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid is CCC(C)(C(=O)O)n1nnnc1-c1cccc(N(C)C)c1.
What is the InChIKey of 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid?
The InChIKey is XZESQRFMIDJRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-5-14(2,13(20)21)19-12(15-16-17-19)10-7-6-8-11(9-10)18(3)4/h6-9H,5H2,1-4H3,(H,20,21).
What are the key properties of 2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid?
2-[5-[3-(dimethylamino)phenyl]tetrazol-1-yl]-2-methylbutanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.62, 5 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-methylbutanoic acid is sourced from PubChem (CID 79791029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).