3-(5-aminotetrazol-1-yl)propanoic acid

C4H7N5O2 — CID 84759102

IUPAC3-(5-aminotetrazol-1-yl)propanoic acid
SMILESNc1nnnn1CCC(=O)O
InChIInChI=1S/C4H7N5O2/c5-4-6-7-8-9(4)2-1-3(10)11/h1-2H2,(H,10,11)(H2,5,6,8)
InChIKeyUJOQMTKAMCBJQY-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.27
Rot. Bonds3

About 3-(5-aminotetrazol-1-yl)propanoic acid

3-(5-aminotetrazol-1-yl)propanoic acid (PubChem CID 84759102) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-(5-aminotetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-aminotetrazol-1-yl)propanoic acid
PubChem CID84759102
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name3-(5-aminotetrazol-1-yl)propanoic acid
SMILESNc1nnnn1CCC(=O)O
InChIInChI=1S/C4H7N5O2/c5-4-6-7-8-9(4)2-1-3(10)11/h1-2H2,(H,10,11)(H2,5,6,8)
InChIKeyUJOQMTKAMCBJQY-UHFFFAOYSA-N
XLogP-1.27
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-1,2,3,4-tetrazol-1-yl)propanoic acid
CID 1273034
3-(3-amino-1H-1,2,4-triazol-1-yl)propanoic acid
CID 19620639
3-(3-amino-1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride
CID 90484264
2-Fluoro-3-(tetrazol-1-yl)propanoic acid
CID 84650989
2-Fluoro-2-methyl-3-(tetrazol-1-yl)propanoic acid
CID 84654810
2,2-Difluoro-3-(tetrazol-1-yl)propanoic acid
CID 84656268
3-(Tetrazol-1-yl)propanoic acid;hydrochloride
CID 70410050
Amino 3-(tetrazol-1-yl)propanoate
CID 140343749
3-(3-Methyltetrazol-1-ium-1-yl)propanoic acid
CID 151748997
3-(Tetrazol-1-yl)propanoate
CID 6979009
3-[(1-Methyltetrazol-5-yl)amino]propanoic acid
CID 63151892
2-Methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid
CID 63152120

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminotetrazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-aminotetrazol-1-yl)propanoic acid (CID 84759102) is 3-(5-aminotetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-aminotetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-aminotetrazol-1-yl)propanoic acid is Nc1nnnn1CCC(=O)O.
What is the InChIKey of 3-(5-aminotetrazol-1-yl)propanoic acid?
The InChIKey is UJOQMTKAMCBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c5-4-6-7-8-9(4)2-1-3(10)11/h1-2H2,(H,10,11)(H2,5,6,8).
What are the key properties of 3-(5-aminotetrazol-1-yl)propanoic acid?
3-(5-aminotetrazol-1-yl)propanoic acid has a molecular weight of 157.13 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminotetrazol-1-yl)propanoic acid is sourced from PubChem (CID 84759102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).