2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate

C7H6N5O3- — CID 135748399

IUPAC2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate
SMILESO=C([O-])CNc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H7N5O3/c13-3(14)1-8-7-11-5-4(6(15)12-7)9-2-10-5/h2H,1H2,(H,13,14)(H3,8,9,10,11,12,15)/p-1
InChIKeyFAPZNNPCYDCZTA-UHFFFAOYSA-M
MW208.16 g/mol
LogP-2.19
Rot. Bonds3

About 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate

2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate (PubChem CID 135748399) has the molecular formula C7H6N5O3- and a molecular weight of 208.16 g/mol. Its IUPAC name is 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate.

Molecular Properties

Compound Name2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate
PubChem CID135748399
Molecular FormulaC7H6N5O3-
Molecular Weight208.16 g/mol
Exact Mass208.05
IUPAC Name2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate
SMILESO=C([O-])CNc1nc2nc[nH]c2c(=O)[nH]1
InChIInChI=1S/C7H7N5O3/c13-3(14)1-8-7-11-5-4(6(15)12-7)9-2-10-5/h2H,1H2,(H,13,14)(H3,8,9,10,11,12,15)/p-1
InChIKeyFAPZNNPCYDCZTA-UHFFFAOYSA-M
XLogP-2.19
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate?
The IUPAC name of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate (CID 135748399) is 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate.
What is the SMILES notation for 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate?
The canonical SMILES for 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate is O=C([O-])CNc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate?
The InChIKey is FAPZNNPCYDCZTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N5O3/c13-3(14)1-8-7-11-5-4(6(15)12-7)9-2-10-5/h2H,1H2,(H,13,14)(H3,8,9,10,11,12,15)/p-1.
What are the key properties of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate?
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate has a molecular weight of 208.16 g/mol, XLogP of -2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate is sourced from PubChem (CID 135748399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).