2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

C8H14N4O2 — CID 123691063

IUPAC2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(C)c1nn[nH]n1
InChIInChI=1S/C8H14N4O2/c1-3-4-6(8(13)14)5(2)7-9-11-12-10-7/h5-6H,3-4H2,1-2H3,(H,13,14)(H,9,10,11,12)
InChIKeyGJVIVZZGAVDNOA-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.80
Rot. Bonds5

About 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid

2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (PubChem CID 123691063) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.

Molecular Properties

Compound Name2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
PubChem CID123691063
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
SMILESCCCC(C(=O)O)C(C)c1nn[nH]n1
InChIInChI=1S/C8H14N4O2/c1-3-4-6(8(13)14)5(2)7-9-11-12-10-7/h5-6H,3-4H2,1-2H3,(H,13,14)(H,9,10,11,12)
InChIKeyGJVIVZZGAVDNOA-UHFFFAOYSA-N
XLogP0.80
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(1H-1,2,3,4-tetrazol-5-yl)propanoic acid
CID 84650316
2-(2H-tetrazol-5-yl)pentanoic acid
CID 21623956
2-(2-methylpropyl)-3-(2H-tetrazol-5-yl)hexanoic acid
CID 22243674
1-(2H-tetrazol-5-ylmethyl)cyclopentane-1-carboxylic acid
CID 22660181
3-(2H-tetrazol-5-ylmethyl)cyclobutane-1-carboxylic acid
CID 54299683
(4S)-4-(2H-tetrazol-5-yl)pentanoic acid
CID 58525969
2-(2H-tetrazol-5-ylmethyl)butanoic acid
CID 68921156
3-(2H-tetrazol-5-yl)pentanoic acid
CID 68921158
2-ethyl-2-propyl-3-(2H-tetrazol-5-yl)hexanoic acid
CID 69667763
4-(2H-tetrazol-5-yl)pentanoic acid
CID 76812902
2-methyl-4-(1H-1,2,3,4-tetrazol-5-yl)butanoic acid
CID 89729320
2-ethyl-2-(2H-tetrazol-5-yl)pentanoic acid
CID 118499125

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The IUPAC name of 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid (CID 123691063) is 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid.
What is the SMILES notation for 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The canonical SMILES for 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is CCCC(C(=O)O)C(C)c1nn[nH]n1.
What is the InChIKey of 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
The InChIKey is GJVIVZZGAVDNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-4-6(8(13)14)5(2)7-9-11-12-10-7/h5-6H,3-4H2,1-2H3,(H,13,14)(H,9,10,11,12).
What are the key properties of 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid?
2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid has a molecular weight of 198.23 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid is sourced from PubChem (CID 123691063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).