methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate

C11H15N3O4 — CID 65443610

IUPACmethyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)C(Cn1cnc(C)cc1=O)NC(C)=O
InChIInChI=1S/C11H15N3O4/c1-7-4-10(16)14(6-12-7)5-9(11(17)18-3)13-8(2)15/h4,6,9H,5H2,1-3H3,(H,13,15)
InChIKeyFVHKXYITBORPBE-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.77
Rot. Bonds4

About methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate

methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate (PubChem CID 65443610) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate
PubChem CID65443610
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate
SMILESCOC(=O)C(Cn1cnc(C)cc1=O)NC(C)=O
InChIInChI=1S/C11H15N3O4/c1-7-4-10(16)14(6-12-7)5-9(11(17)18-3)13-8(2)15/h4,6,9H,5H2,1-3H3,(H,13,15)
InChIKeyFVHKXYITBORPBE-UHFFFAOYSA-N
XLogP-0.77
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate?
The IUPAC name of methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate (CID 65443610) is methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate is COC(=O)C(Cn1cnc(C)cc1=O)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate?
The InChIKey is FVHKXYITBORPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-4-10(16)14(6-12-7)5-9(11(17)18-3)13-8(2)15/h4,6,9H,5H2,1-3H3,(H,13,15).
What are the key properties of methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate?
methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate has a molecular weight of 253.26 g/mol, XLogP of -0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoate is sourced from PubChem (CID 65443610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).