2-(6-aminopurin-9-yl)acetic acid

C7H7N5O2 — CID 11651306

IUPAC2-(6-aminopurin-9-yl)acetic acid
SMILESNc1ncnc2c1ncn2CC(=O)O
InChIInChI=1S/C7H7N5O2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)14/h2-3H,1H2,(H,13,14)(H2,8,9,10)
InChIKeyHHVNWGFYTKKIJO-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.51
Rot. Bonds2

About 2-(6-aminopurin-9-yl)acetic acid

2-(6-aminopurin-9-yl)acetic acid (PubChem CID 11651306) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)acetic acid.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)acetic acid
PubChem CID11651306
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name2-(6-aminopurin-9-yl)acetic acid
SMILESNc1ncnc2c1ncn2CC(=O)O
InChIInChI=1S/C7H7N5O2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)14/h2-3H,1H2,(H,13,14)(H2,8,9,10)
InChIKeyHHVNWGFYTKKIJO-UHFFFAOYSA-N
XLogP-0.51
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-9H-purine-9-propanoic acid
CID 255450
2-(6-Aminopurin-9-yl)ethanol
CID 242652
9-(2-Hydroxypropyl)adenine, (R)-
CID 445211
9-Ethyladenine
CID 7
(S)-9-(2,3-dihydroxypropyl)adenine
CID 73124
2-(6-amino-8-bromo-9H-purin-9-yl)ethanol
CID 44572469
9-(2-Hydroxypropyl)adenine
CID 1942
3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
CID 114769
2-Amino-6-chloro-9H-purine-9-acetic acid
CID 4192833
9-(2,3-Dihydroxypropyl)adenine
CID 134406
3-(6-Amino-9H-purin-9-yl)propan-1-ol
CID 12486289
S-9-(2-hydroxypropyl)adenine
CID 445210

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)acetic acid?
The IUPAC name of 2-(6-aminopurin-9-yl)acetic acid (CID 11651306) is 2-(6-aminopurin-9-yl)acetic acid.
What is the SMILES notation for 2-(6-aminopurin-9-yl)acetic acid?
The canonical SMILES for 2-(6-aminopurin-9-yl)acetic acid is Nc1ncnc2c1ncn2CC(=O)O.
What is the InChIKey of 2-(6-aminopurin-9-yl)acetic acid?
The InChIKey is HHVNWGFYTKKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)14/h2-3H,1H2,(H,13,14)(H2,8,9,10).
What are the key properties of 2-(6-aminopurin-9-yl)acetic acid?
2-(6-aminopurin-9-yl)acetic acid has a molecular weight of 193.17 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)acetic acid is sourced from PubChem (CID 11651306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).