(3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid

C11H12N4O2 — CID 715860

IUPAC(3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid
SMILESO=C(O)C[C@@H](Cn1cnnn1)c1ccccc1
InChIInChI=1S/C11H12N4O2/c16-11(17)6-10(7-15-8-12-13-14-15)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,16,17)/t10-/m0/s1
InChIKeyBXRQAQUJNCMHOC-JTQLQIEISA-N
MW232.24 g/mol
LogP0.93
Rot. Bonds5

About (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid

(3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid (PubChem CID 715860) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid
PubChem CID715860
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name(3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid
SMILESO=C(O)C[C@@H](Cn1cnnn1)c1ccccc1
InChIInChI=1S/C11H12N4O2/c16-11(17)6-10(7-15-8-12-13-14-15)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,16,17)/t10-/m0/s1
InChIKeyBXRQAQUJNCMHOC-JTQLQIEISA-N
XLogP0.93
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid?
The IUPAC name of (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid (CID 715860) is (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid.
What is the SMILES notation for (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid?
The canonical SMILES for (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid is O=C(O)C[C@@H](Cn1cnnn1)c1ccccc1.
What is the InChIKey of (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid?
The InChIKey is BXRQAQUJNCMHOC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(17)6-10(7-15-8-12-13-14-15)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid?
(3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid has a molecular weight of 232.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-phenyl-4-(tetrazol-1-yl)butanoic acid is sourced from PubChem (CID 715860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).