methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate

C11H17N3O4 — CID 137007516

IUPACmethyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H17N3O4/c1-6(2)10-13-8(4-9(16)14-10)12-7(5-15)11(17)18-3/h4,6-7,15H,5H2,1-3H3,(H2,12,13,14,16)
InChIKeyPAMPSYPRUOHDIF-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.16
Rot. Bonds5

About methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate

methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate (PubChem CID 137007516) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate
PubChem CID137007516
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(CO)Nc1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C11H17N3O4/c1-6(2)10-13-8(4-9(16)14-10)12-7(5-15)11(17)18-3/h4,6-7,15H,5H2,1-3H3,(H2,12,13,14,16)
InChIKeyPAMPSYPRUOHDIF-UHFFFAOYSA-N
XLogP-0.16
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate (CID 137007516) is methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate is COC(=O)C(CO)Nc1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate?
The InChIKey is PAMPSYPRUOHDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)10-13-8(4-9(16)14-10)12-7(5-15)11(17)18-3/h4,6-7,15H,5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate?
methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate has a molecular weight of 255.27 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 137007516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).