2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid

C10H10N4O3 — CID 7326920

IUPAC2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid
SMILESO=C(O)Cn1cnc2nc3n(c2c1=O)CCC3
InChIInChI=1S/C10H10N4O3/c15-7(16)4-13-5-11-9-8(10(13)17)14-3-1-2-6(14)12-9/h5H,1-4H2,(H,15,16)
InChIKeyYWEVTPBZORKECQ-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.38
Rot. Bonds2

About 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid

2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid (PubChem CID 7326920) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid
PubChem CID7326920
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid
SMILESO=C(O)Cn1cnc2nc3n(c2c1=O)CCC3
InChIInChI=1S/C10H10N4O3/c15-7(16)4-13-5-11-9-8(10(13)17)14-3-1-2-6(14)12-9/h5H,1-4H2,(H,15,16)
InChIKeyYWEVTPBZORKECQ-UHFFFAOYSA-N
XLogP-0.38
TPSA90.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid?
The IUPAC name of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid (CID 7326920) is 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid.
What is the SMILES notation for 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid?
The canonical SMILES for 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid is O=C(O)Cn1cnc2nc3n(c2c1=O)CCC3.
What is the InChIKey of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid?
The InChIKey is YWEVTPBZORKECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c15-7(16)4-13-5-11-9-8(10(13)17)14-3-1-2-6(14)12-9/h5H,1-4H2,(H,15,16).
What are the key properties of 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid?
2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid has a molecular weight of 234.21 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-7,8-dihydro-6H-purino[7,8-a]pyrrol-2-yl)acetic acid is sourced from PubChem (CID 7326920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).