2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide

C9H13N5O3 — CID 148549355

IUPAC2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide
SMILESCC(O)C(=O)Nc1nc2c(c(=O)[nH]1)NCCN2
InChIInChI=1S/C9H13N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h4,10,15H,2-3H2,1H3,(H3,11,12,13,14,16,17)
InChIKeyWROPXXXGMKRYCK-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.07
Rot. Bonds2

About 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide

2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide (PubChem CID 148549355) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide
PubChem CID148549355
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide
SMILESCC(O)C(=O)Nc1nc2c(c(=O)[nH]1)NCCN2
InChIInChI=1S/C9H13N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h4,10,15H,2-3H2,1H3,(H3,11,12,13,14,16,17)
InChIKeyWROPXXXGMKRYCK-UHFFFAOYSA-N
XLogP-1.07
TPSA119.14 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide?
The IUPAC name of 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide (CID 148549355) is 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide.
What is the SMILES notation for 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide?
The canonical SMILES for 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide is CC(O)C(=O)Nc1nc2c(c(=O)[nH]1)NCCN2.
What is the InChIKey of 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide?
The InChIKey is WROPXXXGMKRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-4(15)7(16)13-9-12-6-5(8(17)14-9)10-2-3-11-6/h4,10,15H,2-3H2,1H3,(H3,11,12,13,14,16,17).
What are the key properties of 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide?
2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide has a molecular weight of 239.23 g/mol, XLogP of -1.07, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-pteridin-2-yl)propanamide is sourced from PubChem (CID 148549355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).