methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate

C12H17N3O4 — CID 60693490

IUPACmethyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H17N3O4/c1-6-9(7(2)15-12(18)14-6)5-10(16)13-8(3)11(17)19-4/h8H,5H2,1-4H3,(H,13,16)(H,14,15,18)
InChIKeyZCXPJMIWLWNTSL-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.39
Rot. Bonds4

About methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate

methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate (PubChem CID 60693490) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate
PubChem CID60693490
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1c(C)nc(=O)[nH]c1C
InChIInChI=1S/C12H17N3O4/c1-6-9(7(2)15-12(18)14-6)5-10(16)13-8(3)11(17)19-4/h8H,5H2,1-4H3,(H,13,16)(H,14,15,18)
InChIKeyZCXPJMIWLWNTSL-UHFFFAOYSA-N
XLogP-0.39
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate (CID 60693490) is methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cc1c(C)nc(=O)[nH]c1C.
What is the InChIKey of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate?
The InChIKey is ZCXPJMIWLWNTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-9(7(2)15-12(18)14-6)5-10(16)13-8(3)11(17)19-4/h8H,5H2,1-4H3,(H,13,16)(H,14,15,18).
What are the key properties of methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate?
methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of -0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoate is sourced from PubChem (CID 60693490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).