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

C11H15N3O4 — CID 113252770

IUPACmethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
SMILESCCC(NC(=O)Cn1cccnc1=O)C(=O)OC
InChIInChI=1S/C11H15N3O4/c1-3-8(10(16)18-2)13-9(15)7-14-6-4-5-12-11(14)17/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyUYCQTHBRMVXZCX-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.69
Rot. Bonds5

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

methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate (PubChem CID 113252770) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
PubChem CID113252770
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
SMILESCCC(NC(=O)Cn1cccnc1=O)C(=O)OC
InChIInChI=1S/C11H15N3O4/c1-3-8(10(16)18-2)13-9(15)7-14-6-4-5-12-11(14)17/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyUYCQTHBRMVXZCX-UHFFFAOYSA-N
XLogP-0.69
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
The IUPAC name of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate (CID 113252770) is methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
The canonical SMILES for methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate is CCC(NC(=O)Cn1cccnc1=O)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
The InChIKey is UYCQTHBRMVXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-8(10(16)18-2)13-9(15)7-14-6-4-5-12-11(14)17/h4-6,8H,3,7H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate?
methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate has a molecular weight of 253.26 g/mol, XLogP of -0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate is sourced from PubChem (CID 113252770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).