3-(5-phenyltetrazol-2-yl)propanoic acid

C10H10N4O2 — CID 845287

IUPAC3-(5-phenyltetrazol-2-yl)propanoic acid
SMILESO=C(O)CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c15-9(16)6-7-14-12-10(11-13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyGLOFATPXSACMFD-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.81
Rot. Bonds4

About 3-(5-phenyltetrazol-2-yl)propanoic acid

3-(5-phenyltetrazol-2-yl)propanoic acid (PubChem CID 845287) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 3-(5-phenyltetrazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-phenyltetrazol-2-yl)propanoic acid
PubChem CID845287
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name3-(5-phenyltetrazol-2-yl)propanoic acid
SMILESO=C(O)CCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C10H10N4O2/c15-9(16)6-7-14-12-10(11-13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyGLOFATPXSACMFD-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)propanoic acid
CID 2892535
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
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
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
2-(5-phenyl-2H-tetrazol-2-yl)ethanol
CID 583007
3-[5-(3,5-dichlorophenyl)-2H-tetrazol-2-yl]propanoic acid
CID 90673045

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyltetrazol-2-yl)propanoic acid?
The IUPAC name of 3-(5-phenyltetrazol-2-yl)propanoic acid (CID 845287) is 3-(5-phenyltetrazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-phenyltetrazol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-phenyltetrazol-2-yl)propanoic acid is O=C(O)CCn1nnc(-c2ccccc2)n1.
What is the InChIKey of 3-(5-phenyltetrazol-2-yl)propanoic acid?
The InChIKey is GLOFATPXSACMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-9(16)6-7-14-12-10(11-13-14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of 3-(5-phenyltetrazol-2-yl)propanoic acid?
3-(5-phenyltetrazol-2-yl)propanoic acid has a molecular weight of 218.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyltetrazol-2-yl)propanoic acid is sourced from PubChem (CID 845287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).