2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid

C13H15ClN4O2 — CID 82226047

IUPAC2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O2/c1-2-3-11(13(19)20)18-12(15-16-17-18)8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,19,20)
InChIKeyMELPNDBNIRASDQ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.34
Rot. Bonds6

About 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid

2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid (PubChem CID 82226047) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid
PubChem CID82226047
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN4O2/c1-2-3-11(13(19)20)18-12(15-16-17-18)8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,19,20)
InChIKeyMELPNDBNIRASDQ-UHFFFAOYSA-N
XLogP2.34
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]pentanoic acid
CID 82226046
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
CID 82226178
4-[5-[(3,4-dichlorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541682
2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
CID 82226071
2-[5-(4-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]-3-hydroxybutanoic acid
CID 82225898
4-[5-[(3,4-difluorophenyl)methyl]tetrazol-1-yl]-2-methylbutanoic acid
CID 80541426
4-methylsulfanyl-2-[5-(thiophen-2-ylmethyl)tetrazol-1-yl]butanoic acid
CID 82226004
3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
CID 82226143

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
The IUPAC name of 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid (CID 82226047) is 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid is CCCC(C(=O)O)n1nnnc1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
The InChIKey is MELPNDBNIRASDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-2-3-11(13(19)20)18-12(15-16-17-18)8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,19,20).
What are the key properties of 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid?
2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid has a molecular weight of 294.74 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-chlorophenyl)methyl]tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 82226047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).