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

C9H11N3O4 — CID 43355310

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(8(14)15)11-7(13)5-12-4-2-3-10-9(12)16/h2-4,6H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyAIMGFZGUIGKCEN-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.17
Rot. Bonds4

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

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 43355310) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID43355310
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(8(14)15)11-7(13)5-12-4-2-3-10-9(12)16/h2-4,6H,5H2,1H3,(H,11,13)(H,14,15)
InChIKeyAIMGFZGUIGKCEN-UHFFFAOYSA-N
XLogP-1.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 43355310) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is CC(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is AIMGFZGUIGKCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-6(8(14)15)11-7(13)5-12-4-2-3-10-9(12)16/h2-4,6H,5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43355310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).