methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate

C11H15N3O4 — CID 54978394

IUPACmethyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-13(7-4-10(16)18-2)9(15)8-14-6-3-5-12-11(14)17/h3,5-6H,4,7-8H2,1-2H3
InChIKeyMQLQSPCIEUSQAD-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.74
Rot. Bonds5

About methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate

methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (PubChem CID 54978394) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
PubChem CID54978394
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-13(7-4-10(16)18-2)9(15)8-14-6-3-5-12-11(14)17/h3,5-6H,4,7-8H2,1-2H3
InChIKeyMQLQSPCIEUSQAD-UHFFFAOYSA-N
XLogP-0.74
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (CID 54978394) is methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is COC(=O)CCN(C)C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The InChIKey is MQLQSPCIEUSQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13(7-4-10(16)18-2)9(15)8-14-6-3-5-12-11(14)17/h3,5-6H,4,7-8H2,1-2H3.
What are the key properties of methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate has a molecular weight of 253.26 g/mol, XLogP of -0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 54978394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).