2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid

C7H9N3O3 — CID 131186284

IUPAC2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid
SMILESNC(C(=O)O)C(O)c1cncnc1
InChIInChI=1S/C7H9N3O3/c8-5(7(12)13)6(11)4-1-9-3-10-2-4/h1-3,5-6,11H,8H2,(H,12,13)
InChIKeyBQOMYGOLLUNGQA-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.08
Rot. Bonds3

About 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid

2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid (PubChem CID 131186284) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid
PubChem CID131186284
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid
SMILESNC(C(=O)O)C(O)c1cncnc1
InChIInChI=1S/C7H9N3O3/c8-5(7(12)13)6(11)4-1-9-3-10-2-4/h1-3,5-6,11H,8H2,(H,12,13)
InChIKeyBQOMYGOLLUNGQA-UHFFFAOYSA-N
XLogP-1.08
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid?
The IUPAC name of 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid (CID 131186284) is 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid is NC(C(=O)O)C(O)c1cncnc1.
What is the InChIKey of 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid?
The InChIKey is BQOMYGOLLUNGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-5(7(12)13)6(11)4-1-9-3-10-2-4/h1-3,5-6,11H,8H2,(H,12,13).
What are the key properties of 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid?
2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid has a molecular weight of 183.17 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-pyrimidin-5-ylpropanoic acid is sourced from PubChem (CID 131186284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).