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

C14H18N4O3 — CID 82226060

IUPAC2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1COc1ccc(C)cc1
InChIInChI=1S/C14H18N4O3/c1-3-4-12(14(19)20)18-13(15-16-17-18)9-21-11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyXBBBQUMFQIZUHM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.99
Rot. Bonds7

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

2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid (PubChem CID 82226060) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
PubChem CID82226060
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)n1nnnc1COc1ccc(C)cc1
InChIInChI=1S/C14H18N4O3/c1-3-4-12(14(19)20)18-13(15-16-17-18)9-21-11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyXBBBQUMFQIZUHM-UHFFFAOYSA-N
XLogP1.99
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
CID 82226178
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-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
CID 82226071
2-[5-(4-ethoxyphenyl)tetrazol-1-yl]propanoic acid
CID 66041380
(3S)-3-[4-[[4-(2-butoxy-5-methylphenyl)phenyl]methoxy]phenyl]-3-(1-methyltetrazol-5-yl)propanoic acid
CID 15604429
(1-propyltetrazol-5-yl)methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55476826
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
CID 82226143
2-[5-(6-butoxy-1-benzothiophen-2-yl)tetrazol-1-yl]propanoic acid
CID 67906796
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]-3-methylpentanoic acid
CID 82225858

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid?
The IUPAC name of 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid (CID 82226060) is 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid.
What is the SMILES notation for 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid?
The canonical SMILES for 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid is CCCC(C(=O)O)n1nnnc1COc1ccc(C)cc1.
What is the InChIKey of 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid?
The InChIKey is XBBBQUMFQIZUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-4-12(14(19)20)18-13(15-16-17-18)9-21-11-7-5-10(2)6-8-11/h5-8,12H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid?
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid is sourced from PubChem (CID 82226060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).