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

C8H9N5O2 — CID 24704702

IUPAC2-[methyl(7H-purin-6-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H9N5O2/c1-13(2-5(14)15)8-6-7(10-3-9-6)11-4-12-8/h3-4H,2H2,1H3,(H,14,15)(H,9,10,11,12)
InChIKeyZSGVBHCWQGRFDO-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.13
Rot. Bonds3

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

2-[methyl(7H-purin-6-yl)amino]acetic acid (PubChem CID 24704702) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]acetic acid
PubChem CID24704702
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name2-[methyl(7H-purin-6-yl)amino]acetic acid
SMILESCN(CC(=O)O)c1ncnc2nc[nH]c12
InChIInChI=1S/C8H9N5O2/c1-13(2-5(14)15)8-6-7(10-3-9-6)11-4-12-8/h3-4H,2H2,1H3,(H,14,15)(H,9,10,11,12)
InChIKeyZSGVBHCWQGRFDO-UHFFFAOYSA-N
XLogP-0.13
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]acetic acid?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]acetic acid (CID 24704702) is 2-[methyl(7H-purin-6-yl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]acetic acid?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]acetic acid is CN(CC(=O)O)c1ncnc2nc[nH]c12.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]acetic acid?
The InChIKey is ZSGVBHCWQGRFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c1-13(2-5(14)15)8-6-7(10-3-9-6)11-4-12-8/h3-4H,2H2,1H3,(H,14,15)(H,9,10,11,12).
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]acetic acid?
2-[methyl(7H-purin-6-yl)amino]acetic acid has a molecular weight of 207.19 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]acetic acid is sourced from PubChem (CID 24704702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).