2-[(2-amino-7H-purin-6-yl)amino]acetic acid

C7H8N6O2 — CID 71826867

IUPAC2-[(2-amino-7H-purin-6-yl)amino]acetic acid
SMILESNc1nc(NCC(=O)O)c2[nH]cnc2n1
InChIInChI=1S/C7H8N6O2/c8-7-12-5(9-1-3(14)15)4-6(13-7)11-2-10-4/h2H,1H2,(H,14,15)(H4,8,9,10,11,12,13)
InChIKeyVXUGGBKXRNSOPC-UHFFFAOYSA-N
MW208.18 g/mol
LogP-0.57
Rot. Bonds3

About 2-[(2-amino-7H-purin-6-yl)amino]acetic acid

2-[(2-amino-7H-purin-6-yl)amino]acetic acid (PubChem CID 71826867) has the molecular formula C7H8N6O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)amino]acetic acid
PubChem CID71826867
Molecular FormulaC7H8N6O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2-[(2-amino-7H-purin-6-yl)amino]acetic acid
SMILESNc1nc(NCC(=O)O)c2[nH]cnc2n1
InChIInChI=1S/C7H8N6O2/c8-7-12-5(9-1-3(14)15)4-6(13-7)11-2-10-4/h2H,1H2,(H,14,15)(H4,8,9,10,11,12,13)
InChIKeyVXUGGBKXRNSOPC-UHFFFAOYSA-N
XLogP-0.57
TPSA129.81 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)amino]acetic acid (CID 71826867) is 2-[(2-amino-7H-purin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)amino]acetic acid is Nc1nc(NCC(=O)O)c2[nH]cnc2n1.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)amino]acetic acid?
The InChIKey is VXUGGBKXRNSOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2/c8-7-12-5(9-1-3(14)15)4-6(13-7)11-2-10-4/h2H,1H2,(H,14,15)(H4,8,9,10,11,12,13).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)amino]acetic acid?
2-[(2-amino-7H-purin-6-yl)amino]acetic acid has a molecular weight of 208.18 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)amino]acetic acid is sourced from PubChem (CID 71826867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).