ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate

C11H14N4O4 — CID 20924763

IUPACethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(CO)Nc1ncnc2onc(C)c12
InChIInChI=1S/C11H14N4O4/c1-3-18-11(17)7(4-16)14-9-8-6(2)15-19-10(8)13-5-12-9/h5,7,16H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyOVJXVBJCAZONPG-UHFFFAOYSA-N
MW266.26 g/mol
LogP0.26
Rot. Bonds5

About ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate

ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate (PubChem CID 20924763) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
PubChem CID20924763
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Nameethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(CO)Nc1ncnc2onc(C)c12
InChIInChI=1S/C11H14N4O4/c1-3-18-11(17)7(4-16)14-9-8-6(2)15-19-10(8)13-5-12-9/h5,7,16H,3-4H2,1-2H3,(H,12,13,14)
InChIKeyOVJXVBJCAZONPG-UHFFFAOYSA-N
XLogP0.26
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate (CID 20924763) is ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate is CCOC(=O)C(CO)Nc1ncnc2onc(C)c12.
What is the InChIKey of ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
The InChIKey is OVJXVBJCAZONPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-3-18-11(17)7(4-16)14-9-8-6(2)15-19-10(8)13-5-12-9/h5,7,16H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate?
ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate has a molecular weight of 266.26 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 20924763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).