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

C10H13N3O5 — CID 106107921

IUPAC2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-18-7(9(15)16)5-12-8(14)6-13-4-2-3-11-10(13)17/h2-4,7H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeySTQOKAJHKBUIIJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.54
Rot. Bonds6

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

2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 106107921) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID106107921
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCOC(CNC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-18-7(9(15)16)5-12-8(14)6-13-4-2-3-11-10(13)17/h2-4,7H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeySTQOKAJHKBUIIJ-UHFFFAOYSA-N
XLogP-1.54
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 106107921) is 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is COC(CNC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is STQOKAJHKBUIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-7(9(15)16)5-12-8(14)6-13-4-2-3-11-10(13)17/h2-4,7H,5-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 106107921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).