2-(7H-purin-6-yloxy)acetic acid

C7H6N4O3 — CID 114335218

IUPAC2-(7H-purin-6-yloxy)acetic acid
SMILESO=C(O)COc1ncnc2nc[nH]c12
InChIInChI=1S/C7H6N4O3/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7/h2-3H,1H2,(H,12,13)(H,8,9,10,11)
InChIKeyBCSFKIOASBXRHC-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.18
Rot. Bonds3

About 2-(7H-purin-6-yloxy)acetic acid

2-(7H-purin-6-yloxy)acetic acid (PubChem CID 114335218) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-(7H-purin-6-yloxy)acetic acid.

Molecular Properties

Compound Name2-(7H-purin-6-yloxy)acetic acid
PubChem CID114335218
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-(7H-purin-6-yloxy)acetic acid
SMILESO=C(O)COc1ncnc2nc[nH]c12
InChIInChI=1S/C7H6N4O3/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7/h2-3H,1H2,(H,12,13)(H,8,9,10,11)
InChIKeyBCSFKIOASBXRHC-UHFFFAOYSA-N
XLogP-0.18
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-yloxy)acetic acid?
The IUPAC name of 2-(7H-purin-6-yloxy)acetic acid (CID 114335218) is 2-(7H-purin-6-yloxy)acetic acid.
What is the SMILES notation for 2-(7H-purin-6-yloxy)acetic acid?
The canonical SMILES for 2-(7H-purin-6-yloxy)acetic acid is O=C(O)COc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-yloxy)acetic acid?
The InChIKey is BCSFKIOASBXRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-4(13)1-14-7-5-6(9-2-8-5)10-3-11-7/h2-3H,1H2,(H,12,13)(H,8,9,10,11).
What are the key properties of 2-(7H-purin-6-yloxy)acetic acid?
2-(7H-purin-6-yloxy)acetic acid has a molecular weight of 194.15 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-yloxy)acetic acid is sourced from PubChem (CID 114335218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).