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

C7H7N5O3 — CID 135456846

IUPAC2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
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)
InChIKeyFAPZNNPCYDCZTA-UHFFFAOYSA-N
MW209.16 g/mol
LogP-0.86
Rot. Bonds3

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

2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid (PubChem CID 135456846) has the molecular formula C7H7N5O3 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
PubChem CID135456846
Molecular FormulaC7H7N5O3
Molecular Weight209.16 g/mol
Exact Mass209.05
IUPAC Name2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid
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)
InChIKeyFAPZNNPCYDCZTA-UHFFFAOYSA-N
XLogP-0.86
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetate
CID 135748399
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728
N-(6-oxo-1,7-dihydropurin-2-yl)-2-phenylacetamide
CID 135734285
2-(2,2-dimethoxyethylamino)-1,7-dihydropurin-6-one
CID 136951529
N-(6-oxo-1,7-dihydropurin-2-yl)butanamide
CID 135411165
[(6-oxo-1,7-dihydropurin-2-yl)amino]methyl pentanoate
CID 141073885
2-(trifluoromethylamino)-1,7-dihydropurin-6-one
CID 141084811
4-[(6-oxo-1,7-dihydropurin-2-yl)amino]butyl (2S)-2-amino-3-methylbutanoate;hydrochloride
CID 142637441
3-[(6-oxo-1,7-dihydropurin-2-yl)amino]propoxymethylphosphonic acid
CID 173320245
2-amino-1,7-dihydropurin-6-one;2-sulfanylacetic acid
CID 157072098
2-(1-hydroxybut-3-en-2-ylamino)-1,7-dihydropurin-6-one
CID 136865373
2-(3,5-dichloroanilino)-1,7-dihydropurin-6-one
CID 135410329

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid (CID 135456846) is 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid is O=C(O)CNc1nc2nc[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid?
The InChIKey is FAPZNNPCYDCZTA-UHFFFAOYSA-N. 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).
What are the key properties of 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid?
2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid has a molecular weight of 209.16 g/mol, XLogP of -0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1,7-dihydropurin-2-yl)amino]acetic acid is sourced from PubChem (CID 135456846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).