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

C10H13N3O4 — CID 61263013

IUPAC2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-10(2,8(15)16)12-7(14)6-13-5-3-4-11-9(13)17/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXGCAHNIXPFQNLF-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.78
Rot. Bonds4

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

2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 61263013) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID61263013
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(C)(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-10(2,8(15)16)12-7(14)6-13-5-3-4-11-9(13)17/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXGCAHNIXPFQNLF-UHFFFAOYSA-N
XLogP-0.78
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.78
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]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 61263013) is 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is CC(C)(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is XGCAHNIXPFQNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-10(2,8(15)16)12-7(14)6-13-5-3-4-11-9(13)17/h3-5H,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.78, 4 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]propanoic acid is sourced from PubChem (CID 61263013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).