(6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

C9H13N5O3 — CID 135886626

IUPAC(6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(O)C(=O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)/t3?,4-/m1/s1
InChIKeyHKCYZTKHPLJZDR-SRBOSORUSA-N
MW239.23 g/mol
LogP-1.49
Rot. Bonds2

About (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one

(6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (PubChem CID 135886626) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.

Molecular Properties

Compound Name(6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
PubChem CID135886626
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name(6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one
SMILESCC(O)C(=O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
InChIInChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)/t3?,4-/m1/s1
InChIKeyHKCYZTKHPLJZDR-SRBOSORUSA-N
XLogP-1.49
TPSA133.13 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The IUPAC name of (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one (CID 135886626) is (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one.
What is the SMILES notation for (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The canonical SMILES for (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is CC(O)C(=O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1.
What is the InChIKey of (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
The InChIKey is HKCYZTKHPLJZDR-SRBOSORUSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)/t3?,4-/m1/s1.
What are the key properties of (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one?
(6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one has a molecular weight of 239.23 g/mol, XLogP of -1.49, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one is sourced from PubChem (CID 135886626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).