2-(1-benzyltetrazol-5-yl)propanoic acid

C11H12N4O2 — CID 84695493

IUPAC2-(1-benzyltetrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1nnnn1Cc1ccccc1
InChIInChI=1S/C11H12N4O2/c1-8(11(16)17)10-12-13-14-15(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyHZKGFEYEPPLLCB-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.91
Rot. Bonds4

About 2-(1-benzyltetrazol-5-yl)propanoic acid

2-(1-benzyltetrazol-5-yl)propanoic acid (PubChem CID 84695493) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(1-benzyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-benzyltetrazol-5-yl)propanoic acid
PubChem CID84695493
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(1-benzyltetrazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1nnnn1Cc1ccccc1
InChIInChI=1S/C11H12N4O2/c1-8(11(16)17)10-12-13-14-15(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyHZKGFEYEPPLLCB-UHFFFAOYSA-N
XLogP0.91
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-5-[(Z)-hex-3-en-2-yl]tetrazole
CID 163754312
1-benzyltetrazole-5-carboxamide
CID 122714819
2-(1-benzyltetrazol-5-yl)-2-butoxyacetamide
CID 173120186
2-[1-(2-fluoro-2-methylpropyl)tetrazol-5-yl]propanoic acid
CID 84681641
1-(1-benzyltetrazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 70052916
[1-(1-benzyltetrazol-5-yl)-2-phenylethyl]hydrazine
CID 132531197
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
1-benzyl-5-chlorotetrazole
CID 46835417
1-[1-(1-benzyltetrazol-5-yl)butyl]piperidine-4-carboxamide
CID 653622
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1446198
[4-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7224024
2-(1-benzyltetrazol-5-yl)sulfanylacetamide
CID 893684

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyltetrazol-5-yl)propanoic acid?
The IUPAC name of 2-(1-benzyltetrazol-5-yl)propanoic acid (CID 84695493) is 2-(1-benzyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(1-benzyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 2-(1-benzyltetrazol-5-yl)propanoic acid is CC(C(=O)O)c1nnnn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyltetrazol-5-yl)propanoic acid?
The InChIKey is HZKGFEYEPPLLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(11(16)17)10-12-13-14-15(10)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 2-(1-benzyltetrazol-5-yl)propanoic acid?
2-(1-benzyltetrazol-5-yl)propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 84695493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).