3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid

C11H12N4O2 — CID 167810430

IUPAC3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid
SMILESO=C(O)CC(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H12N4O2/c16-11(17)7-9(6-10-12-14-15-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)(H,12,13,14,15)
InChIKeyASHGMLVDYVKARD-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.00
Rot. Bonds5

About 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid

3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid (PubChem CID 167810430) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid.

Molecular Properties

Compound Name3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid
PubChem CID167810430
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid
SMILESO=C(O)CC(Cc1nn[nH]n1)c1ccccc1
InChIInChI=1S/C11H12N4O2/c16-11(17)7-9(6-10-12-14-15-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)(H,12,13,14,15)
InChIKeyASHGMLVDYVKARD-UHFFFAOYSA-N
XLogP1.00
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.00
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
5-(2-phenylpropyl)-2H-tetrazole
CID 130947547
4-(4-hydroxyphenyl)-3-phenylbutanoic acid
CID 18772164
ethane;3-phenylpentanoic acid
CID 142147200
iron;2-(2H-tetrazol-5-yl)acetic acid;zinc
CID 175714955
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664
(2S)-2-amino-3-[1-(2H-tetrazol-5-ylmethyl)indol-3-yl]propanoic acid
CID 130476414
(3R)-3,5-diphenylpentanoic acid
CID 821797
1,1'-biphenyl;1-(2H-tetrazol-5-yl)propan-2-one
CID 175092025
lanthanum;tris(2-(2H-tetrazol-5-yl)acetic acid)
CID 156633731
hydron;2-(2H-tetrazol-5-yl)acetic acid
CID 174732621
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid?
The IUPAC name of 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid (CID 167810430) is 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid.
What is the SMILES notation for 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid?
The canonical SMILES for 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid is O=C(O)CC(Cc1nn[nH]n1)c1ccccc1.
What is the InChIKey of 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid?
The InChIKey is ASHGMLVDYVKARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(17)7-9(6-10-12-14-15-13-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,16,17)(H,12,13,14,15).
What are the key properties of 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid?
3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-(2H-tetrazol-5-yl)butanoic acid is sourced from PubChem (CID 167810430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).