3-(tetrazol-1-yl)propanoic acid

C4H6N4O2 — CID 1273034

IUPAC3-(tetrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1cnnn1
InChIInChI=1S/C4H6N4O2/c9-4(10)1-2-8-3-5-6-7-8/h3H,1-2H2,(H,9,10)
InChIKeyWMTYEYUOSFTJBH-UHFFFAOYSA-N
MW142.12 g/mol
LogP-0.85
Rot. Bonds3

About 3-(tetrazol-1-yl)propanoic acid

3-(tetrazol-1-yl)propanoic acid (PubChem CID 1273034) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(tetrazol-1-yl)propanoic acid
PubChem CID1273034
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name3-(tetrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1cnnn1
InChIInChI=1S/C4H6N4O2/c9-4(10)1-2-8-3-5-6-7-8/h3H,1-2H2,(H,9,10)
InChIKeyWMTYEYUOSFTJBH-UHFFFAOYSA-N
XLogP-0.85
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-1,2,4-triazol-1-yl)propanoic acid
CID 565945
(2S)-2-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 39732345
3-(3-amino-1H-1,2,4-triazol-1-yl)propanoic acid
CID 19620639
3-(3-bromo-1H-1,2,4-triazol-1-yl)propanoic acid
CID 84685271
3-(3-amino-1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CID 90484264
3-(4H-1,2,4-triazol-4-yl)propanoic acid
CID 12888410
4-(1H-Tetrazol-1-yl)butanoic acid
CID 22996543
2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid
CID 3162906
5-Aminotetrazole-1-propanoic acid
CID 84759102
2-Fluoro-3-(1,2,4-triazol-1-yl)propanoic acid
CID 84650837
2-Fluoro-3-(tetrazol-1-yl)propanoic acid
CID 84650989
2-Fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid
CID 84654810

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)propanoic acid?
The IUPAC name of 3-(tetrazol-1-yl)propanoic acid (CID 1273034) is 3-(tetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(tetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(tetrazol-1-yl)propanoic acid is O=C(O)CCn1cnnn1.
What is the InChIKey of 3-(tetrazol-1-yl)propanoic acid?
The InChIKey is WMTYEYUOSFTJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c9-4(10)1-2-8-3-5-6-7-8/h3H,1-2H2,(H,9,10).
What are the key properties of 3-(tetrazol-1-yl)propanoic acid?
3-(tetrazol-1-yl)propanoic acid has a molecular weight of 142.12 g/mol, XLogP of -0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)propanoic acid is sourced from PubChem (CID 1273034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).