2-(5-phenyltetrazol-2-yl)propanoic acid

C10H10N4O2 — CID 2892535

IUPAC2-(5-phenyltetrazol-2-yl)propanoic acid
SMILESCC(C(=O)O)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c1-7(10(15)16)14-12-9(11-13-14)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
InChIKeyROBHCGWFDVKHQR-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.99
Rot. Bonds3

About 2-(5-phenyltetrazol-2-yl)propanoic acid

2-(5-phenyltetrazol-2-yl)propanoic acid (PubChem CID 2892535) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)propanoic acid
PubChem CID2892535
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(5-phenyltetrazol-2-yl)propanoic acid
SMILESCC(C(=O)O)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c1-7(10(15)16)14-12-9(11-13-14)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16)
InChIKeyROBHCGWFDVKHQR-UHFFFAOYSA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl (5-phenyl-2H-tetrazol-2-yl)acetate
CID 583011
2-(5-(4-methylphenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 701825
[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-acetic acid
CID 579001
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 1086563
3-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-propionic acid methyl ester
CID 644796
3-[5-(4-Ethylphenyl)-2-tetrazolyl]propanoic acid methyl ester
CID 647427
3-[5-(4-Isopropyl-phenyl)-tetrazol-2-yl]-propionic acid
CID 651433
Propan-2-yl 2-(5-phenyltetrazol-2-yl)acetate
CID 2902401
3-(5-phenyl-2H-tetraazol-2-yl)propanoic acid
CID 845287
2-(5-phenyl-2H-tetrazol-2-yl)ethanol
CID 583007
2-(5-(4-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl)acetic acid
CID 1096293
3-(5-p-Tolyl-tetrazol-2-yl)-propionic acid methyl ester
CID 654834

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)propanoic acid?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)propanoic acid (CID 2892535) is 2-(5-phenyltetrazol-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)propanoic acid?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)propanoic acid is CC(C(=O)O)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)propanoic acid?
The InChIKey is ROBHCGWFDVKHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7(10(15)16)14-12-9(11-13-14)8-5-3-2-4-6-8/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(5-phenyltetrazol-2-yl)propanoic acid?
2-(5-phenyltetrazol-2-yl)propanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)propanoic acid is sourced from PubChem (CID 2892535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).