2-(6-oxo-5H-pteridin-7-yl)butanoic acid

C10H10N4O3 — CID 57375112

IUPAC2-(6-oxo-5H-pteridin-7-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc2ncncc2[nH]c1=O
InChIInChI=1S/C10H10N4O3/c1-2-5(10(16)17)7-9(15)13-6-3-11-4-12-8(6)14-7/h3-5H,2H2,1H3,(H,13,15)(H,16,17)
InChIKeyHNEFLEVZIMQUKI-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.29
Rot. Bonds3

About 2-(6-oxo-5H-pteridin-7-yl)butanoic acid

2-(6-oxo-5H-pteridin-7-yl)butanoic acid (PubChem CID 57375112) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(6-oxo-5H-pteridin-7-yl)butanoic acid.

Molecular Properties

Compound Name2-(6-oxo-5H-pteridin-7-yl)butanoic acid
PubChem CID57375112
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name2-(6-oxo-5H-pteridin-7-yl)butanoic acid
SMILESCCC(C(=O)O)c1nc2ncncc2[nH]c1=O
InChIInChI=1S/C10H10N4O3/c1-2-5(10(16)17)7-9(15)13-6-3-11-4-12-8(6)14-7/h3-5H,2H2,1H3,(H,13,15)(H,16,17)
InChIKeyHNEFLEVZIMQUKI-UHFFFAOYSA-N
XLogP0.29
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-5H-pteridin-7-yl)butanoic acid?
The IUPAC name of 2-(6-oxo-5H-pteridin-7-yl)butanoic acid (CID 57375112) is 2-(6-oxo-5H-pteridin-7-yl)butanoic acid.
What is the SMILES notation for 2-(6-oxo-5H-pteridin-7-yl)butanoic acid?
The canonical SMILES for 2-(6-oxo-5H-pteridin-7-yl)butanoic acid is CCC(C(=O)O)c1nc2ncncc2[nH]c1=O.
What is the InChIKey of 2-(6-oxo-5H-pteridin-7-yl)butanoic acid?
The InChIKey is HNEFLEVZIMQUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-2-5(10(16)17)7-9(15)13-6-3-11-4-12-8(6)14-7/h3-5H,2H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-(6-oxo-5H-pteridin-7-yl)butanoic acid?
2-(6-oxo-5H-pteridin-7-yl)butanoic acid has a molecular weight of 234.21 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-5H-pteridin-7-yl)butanoic acid is sourced from PubChem (CID 57375112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).