2-phenyl-2-(2H-tetrazol-5-yl)acetic acid

C9H8N4O2 — CID 54210664

IUPAC2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
SMILESO=C(O)C(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C9H8N4O2/c14-9(15)7(8-10-12-13-11-8)6-4-2-1-3-5-6/h1-5,7H,(H,14,15)(H,10,11,12,13)
InChIKeyPVSLTJGEFJDZQB-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.42
Rot. Bonds3

About 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid

2-phenyl-2-(2H-tetrazol-5-yl)acetic acid (PubChem CID 54210664) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
PubChem CID54210664
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
SMILESO=C(O)C(c1ccccc1)c1nn[nH]n1
InChIInChI=1S/C9H8N4O2/c14-9(15)7(8-10-12-13-11-8)6-4-2-1-3-5-6/h1-5,7H,(H,14,15)(H,10,11,12,13)
InChIKeyPVSLTJGEFJDZQB-UHFFFAOYSA-N
XLogP0.42
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127283
(1S,2S)-2-amino-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
CID 130427905
(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid
CID 104897054
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
N-[phenyl(2H-tetrazol-5-yl)methyl]aniline
CID 151383687
(3S,4S)-3-(2-methylpropyl)-5-phenyl-4-(2H-tetrazol-5-yl)hexan-2-one
CID 129264675
(2S)-2-(1H-indol-3-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 142632274
benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127415

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid?
The IUPAC name of 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid (CID 54210664) is 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid.
What is the SMILES notation for 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid?
The canonical SMILES for 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid is O=C(O)C(c1ccccc1)c1nn[nH]n1.
What is the InChIKey of 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid?
The InChIKey is PVSLTJGEFJDZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(15)7(8-10-12-13-11-8)6-4-2-1-3-5-6/h1-5,7H,(H,14,15)(H,10,11,12,13).
What are the key properties of 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid?
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid has a molecular weight of 204.19 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(2H-tetrazol-5-yl)acetic acid is sourced from PubChem (CID 54210664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).