3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid

C14H17ClN4O2 — CID 81067300

IUPAC3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1Cc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN4O2/c1-2-10(8-14(20)21)9-19-13(16-17-18-19)7-11-4-3-5-12(15)6-11/h3-6,10H,2,7-9H2,1H3,(H,20,21)
InChIKeyLENRNDQWKGAPQP-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.42
Rot. Bonds7

About 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid

3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid (PubChem CID 81067300) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
PubChem CID81067300
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid
SMILESCCC(CC(=O)O)Cn1nnnc1Cc1cccc(Cl)c1
InChIInChI=1S/C14H17ClN4O2/c1-2-10(8-14(20)21)9-19-13(16-17-18-19)7-11-4-3-5-12(15)6-11/h3-6,10H,2,7-9H2,1H3,(H,20,21)
InChIKeyLENRNDQWKGAPQP-UHFFFAOYSA-N
XLogP2.42
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
The IUPAC name of 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid (CID 81067300) is 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid.
What is the SMILES notation for 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
The canonical SMILES for 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid is CCC(CC(=O)O)Cn1nnnc1Cc1cccc(Cl)c1.
What is the InChIKey of 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
The InChIKey is LENRNDQWKGAPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-10(8-14(20)21)9-19-13(16-17-18-19)7-11-4-3-5-12(15)6-11/h3-6,10H,2,7-9H2,1H3,(H,20,21).
What are the key properties of 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid?
3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid has a molecular weight of 308.77 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]methyl]pentanoic acid is sourced from PubChem (CID 81067300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).