2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid

C11H13N5O2 — CID 1146788

IUPAC2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid
SMILESCN(C)c1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C11H13N5O2/c1-15(2)9-5-3-8(4-6-9)11-12-14-16(13-11)7-10(17)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyBCUPXFUFKAAKQO-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.49
Rot. Bonds4

About 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid

2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid (PubChem CID 1146788) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid
PubChem CID1146788
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid
SMILESCN(C)c1ccc(-c2nnn(CC(=O)O)n2)cc1
InChIInChI=1S/C11H13N5O2/c1-15(2)9-5-3-8(4-6-9)11-12-14-16(13-11)7-10(17)18/h3-6H,7H2,1-2H3,(H,17,18)
InChIKeyBCUPXFUFKAAKQO-UHFFFAOYSA-N
XLogP0.49
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-Dimethylamino-phenyl)-tetrazol-2-yl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 3176429
4-[2-(3-iodoprop-2-ynyl)tetrazol-5-yl]-N,N-dimethyl-aniline
CID 497170
N-methyl-N-phenyl-2-(5-phenyl-2H-tetrazol-2-yl)acetamide
CID 7634169
(Rs)-a-methyl-4-phosphonophenylglycine
CID 66766693
N-cyclohexyl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-methylacetamide
CID 860880
N-cyclohexyl-N-methyl-4-(2-methyltetrazol-5-yl)aniline
CID 177645336
2-[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetic acid
CID 135372574
N-hydroxy-N-[3-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 132526765
3-[5-(4-Acetamidophenyl)tetrazol-2-yl]propanoic acid
CID 121002207
4-(2-Methyltetrazol-5-yl)aniline;2,2,2-trifluoroacetic acid
CID 162248219
1-(Azepan-1-yl)-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]ethanone
CID 859222
2-{5-[4-(Dimethylamino)phenyl]-1,2,3,4-tetrazol-2-YL}-N-(2-methylbutan-2-YL)acetamide
CID 859247

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid?
The IUPAC name of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid (CID 1146788) is 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid is CN(C)c1ccc(-c2nnn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid?
The InChIKey is BCUPXFUFKAAKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-15(2)9-5-3-8(4-6-9)11-12-14-16(13-11)7-10(17)18/h3-6H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid?
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid has a molecular weight of 247.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetic acid is sourced from PubChem (CID 1146788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).