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

C11H15N3O4 — CID 55008153

IUPAC2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-8(10(16)17)6-13(2)9(15)7-14-5-3-4-12-11(14)18/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyUTBUDUOHKVUOPS-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.58
Rot. Bonds5

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

2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 55008153) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID55008153
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-8(10(16)17)6-13(2)9(15)7-14-5-3-4-12-11(14)18/h3-5,8H,6-7H2,1-2H3,(H,16,17)
InChIKeyUTBUDUOHKVUOPS-UHFFFAOYSA-N
XLogP-0.58
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 55008153) is 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is CC(CN(C)C(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is UTBUDUOHKVUOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8(10(16)17)6-13(2)9(15)7-14-5-3-4-12-11(14)18/h3-5,8H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 55008153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).