2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid

C14H16N4O2 — CID 82226071

IUPAC2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1/C=C/c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-2-6-12(14(19)20)18-13(15-16-17-18)10-9-11-7-4-3-5-8-11/h3-5,7-10,12H,2,6H2,1H3,(H,19,20)/b10-9+
InChIKeyBXZZFLPNZJPZQP-MDZDMXLPSA-N
MW272.31 g/mol
LogP2.27
Rot. Bonds6

About 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid

2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid (PubChem CID 82226071) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
PubChem CID82226071
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1/C=C/c1ccccc1
InChIInChI=1S/C14H16N4O2/c1-2-6-12(14(19)20)18-13(15-16-17-18)10-9-11-7-4-3-5-8-11/h3-5,7-10,12H,2,6H2,1H3,(H,19,20)/b10-9+
InChIKeyBXZZFLPNZJPZQP-MDZDMXLPSA-N
XLogP2.27
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid
CID 82226047
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid
CID 82226046
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
CID 82226143
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
CID 82226178
2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
CID 11833693
2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid
CID 82226192
2-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
CID 6388303
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
3-(benzotriazol-1-yl)hexan-2-one
CID 154962693
(2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanoic acid
CID 107563876

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid?
The IUPAC name of 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid (CID 82226071) is 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid is CCCC(C(=O)O)n1nnnc1/C=C/c1ccccc1.
What is the InChIKey of 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid?
The InChIKey is BXZZFLPNZJPZQP-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-6-12(14(19)20)18-13(15-16-17-18)10-9-11-7-4-3-5-8-11/h3-5,7-10,12H,2,6H2,1H3,(H,19,20)/b10-9+.
What are the key properties of 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid?
2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid has a molecular weight of 272.31 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 82226071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).