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

C11H15N3O4 — CID 79793643

IUPAC2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-11(2,9(16)17)13-8(15)7-14-6-4-5-12-10(14)18/h4-6H,3,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCJLJMOSRXFSTRK-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.39
Rot. Bonds5

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

2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 79793643) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID79793643
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-11(2,9(16)17)13-8(15)7-14-6-4-5-12-10(14)18/h4-6H,3,7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyCJLJMOSRXFSTRK-UHFFFAOYSA-N
XLogP-0.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
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 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 79793643) is 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is CCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is CJLJMOSRXFSTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-11(2,9(16)17)13-8(15)7-14-6-4-5-12-10(14)18/h4-6H,3,7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 79793643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).