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

C7H7N5O2 — CID 1241285

IUPAC2-(7H-purin-6-ylamino)acetic acid
SMILESO=C(O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7N5O2/c13-4(14)1-8-6-5-7(10-2-9-5)12-3-11-6/h2-3H,1H2,(H,13,14)(H2,8,9,10,11,12)
InChIKeyQQDOCXUDXYMTRL-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.15
Rot. Bonds3

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

2-(7H-purin-6-ylamino)acetic acid (PubChem CID 1241285) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-(7H-purin-6-ylamino)acetic acid.

Molecular Properties

Compound Name2-(7H-purin-6-ylamino)acetic acid
PubChem CID1241285
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-(7H-purin-6-ylamino)acetic acid
SMILESO=C(O)CNc1ncnc2nc[nH]c12
InChIInChI=1S/C7H7N5O2/c13-4(14)1-8-6-5-7(10-2-9-5)12-3-11-6/h2-3H,1H2,(H,13,14)(H2,8,9,10,11,12)
InChIKeyQQDOCXUDXYMTRL-UHFFFAOYSA-N
XLogP-0.15
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-6-ylamino)acetic acid?
The IUPAC name of 2-(7H-purin-6-ylamino)acetic acid (CID 1241285) is 2-(7H-purin-6-ylamino)acetic acid.
What is the SMILES notation for 2-(7H-purin-6-ylamino)acetic acid?
The canonical SMILES for 2-(7H-purin-6-ylamino)acetic acid is O=C(O)CNc1ncnc2nc[nH]c12.
What is the InChIKey of 2-(7H-purin-6-ylamino)acetic acid?
The InChIKey is QQDOCXUDXYMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c13-4(14)1-8-6-5-7(10-2-9-5)12-3-11-6/h2-3H,1H2,(H,13,14)(H2,8,9,10,11,12).
What are the key properties of 2-(7H-purin-6-ylamino)acetic acid?
2-(7H-purin-6-ylamino)acetic acid has a molecular weight of 193.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-6-ylamino)acetic acid is sourced from PubChem (CID 1241285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).