3-(7H-purin-8-yl)propanoic acid

C8H8N4O2 — CID 83671901

IUPAC3-(7H-purin-8-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncncc2[nH]1
InChIInChI=1S/C8H8N4O2/c13-7(14)2-1-6-11-5-3-9-4-10-8(5)12-6/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)
InChIKeyVAZXSGDGKMPTQS-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.37
Rot. Bonds3

About 3-(7H-purin-8-yl)propanoic acid

3-(7H-purin-8-yl)propanoic acid (PubChem CID 83671901) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-(7H-purin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(7H-purin-8-yl)propanoic acid
PubChem CID83671901
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name3-(7H-purin-8-yl)propanoic acid
SMILESO=C(O)CCc1nc2ncncc2[nH]1
InChIInChI=1S/C8H8N4O2/c13-7(14)2-1-6-11-5-3-9-4-10-8(5)12-6/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12)
InChIKeyVAZXSGDGKMPTQS-UHFFFAOYSA-N
XLogP0.37
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7H-purin-8-yl)ethanamine
CID 83671812
2-(7H-purin-8-yl)acetaldehyde
CID 54084471
6-(7H-purin-8-yl)hexan-1-amine
CID 114402076
8-(3-phenylpropyl)-7H-purine
CID 114402499
3-(5H-imidazo[4,5-c]pyridazin-6-yl)propanoic acid
CID 83857665
1-(7H-purin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 114401818
1,1,1-trifluoro-3-(7H-purin-8-yl)propan-2-ol
CID 114403043
8-(ethoxymethyl)-7H-purine
CID 114402549
3-(5,6-dichloro-1H-benzimidazol-2-yl)propanoic acid
CID 13042082
2-(7H-purin-8-yloxy)ethyl prop-2-enoate
CID 59502748
4-(7H-purin-8-yl)-1H-imidazole-5-carboxylic acid
CID 114401826
2-methyl-N-[2-(7H-purin-8-yl)ethyl]aniline
CID 114402115

Frequently Asked Questions

What is the IUPAC name of 3-(7H-purin-8-yl)propanoic acid?
The IUPAC name of 3-(7H-purin-8-yl)propanoic acid (CID 83671901) is 3-(7H-purin-8-yl)propanoic acid.
What is the SMILES notation for 3-(7H-purin-8-yl)propanoic acid?
The canonical SMILES for 3-(7H-purin-8-yl)propanoic acid is O=C(O)CCc1nc2ncncc2[nH]1.
What is the InChIKey of 3-(7H-purin-8-yl)propanoic acid?
The InChIKey is VAZXSGDGKMPTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c13-7(14)2-1-6-11-5-3-9-4-10-8(5)12-6/h3-4H,1-2H2,(H,13,14)(H,9,10,11,12).
What are the key properties of 3-(7H-purin-8-yl)propanoic acid?
3-(7H-purin-8-yl)propanoic acid has a molecular weight of 192.18 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-purin-8-yl)propanoic acid is sourced from PubChem (CID 83671901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).