2-(tetrazol-1-yl)butanoic acid

C5H8N4O2 — CID 21280327

IUPAC2-(tetrazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1cnnn1
InChIInChI=1S/C5H8N4O2/c1-2-4(5(10)11)9-3-6-7-8-9/h3-4H,2H2,1H3,(H,10,11)
InChIKeySXHAKLAEVCISIN-UHFFFAOYSA-N
MW156.15 g/mol
LogP-0.29
Rot. Bonds3

About 2-(tetrazol-1-yl)butanoic acid

2-(tetrazol-1-yl)butanoic acid (PubChem CID 21280327) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(tetrazol-1-yl)butanoic acid
PubChem CID21280327
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2-(tetrazol-1-yl)butanoic acid
SMILESCCC(C(=O)O)n1cnnn1
InChIInChI=1S/C5H8N4O2/c1-2-4(5(10)11)9-3-6-7-8-9/h3-4H,2H2,1H3,(H,10,11)
InChIKeySXHAKLAEVCISIN-UHFFFAOYSA-N
XLogP-0.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-(tetrazol-1-yl)butanoic acid
CID 39732347
2-(3-fluoro-4-iodopyrazol-1-yl)butanoic acid
CID 164664719
N-(1-hydroxypentan-3-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 109479307
(2R)-2-(3-cyano-1,2,4-triazol-1-yl)butanoic acid
CID 94864644
(2S)-2-amino-3-(tetrazol-1-yl)pentanedioic acid
CID 54431534
2-(4-amino-3-methylpyrazol-1-yl)butanoic acid
CID 165480611
(2S)-2-(4-iodo-3-methylpyrazol-1-yl)butanoic acid
CID 95800616
(2R)-3-phenyl-1-(4-propylpiperazin-1-yl)-2-(tetrazol-1-yl)propan-1-one
CID 94551515
(2R)-2-(4-chloropyrazol-1-yl)butanoic acid
CID 7017286
N-hexyl-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51229398
2-(4-iodo-3-propan-2-ylpyrazol-1-yl)butanoic acid
CID 154882163
(2R)-3-phenyl-N-prop-2-ynyl-2-(tetrazol-1-yl)propanamide
CID 94393857

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)butanoic acid?
The IUPAC name of 2-(tetrazol-1-yl)butanoic acid (CID 21280327) is 2-(tetrazol-1-yl)butanoic acid.
What is the SMILES notation for 2-(tetrazol-1-yl)butanoic acid?
The canonical SMILES for 2-(tetrazol-1-yl)butanoic acid is CCC(C(=O)O)n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)butanoic acid?
The InChIKey is SXHAKLAEVCISIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-2-4(5(10)11)9-3-6-7-8-9/h3-4H,2H2,1H3,(H,10,11).
What are the key properties of 2-(tetrazol-1-yl)butanoic acid?
2-(tetrazol-1-yl)butanoic acid has a molecular weight of 156.15 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)butanoic acid is sourced from PubChem (CID 21280327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).