3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid

C10H13N3O5 — CID 60989090

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-13(3-2-9(16)17)8(15)5-6-4-7(14)12-10(18)11-6/h4H,2-3,5H2,1H3,(H,16,17)(H2,11,12,14,18)
InChIKeyYLGGBRZXDJCGMX-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.46
Rot. Bonds5

About 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid (PubChem CID 60989090) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid
PubChem CID60989090
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-13(3-2-9(16)17)8(15)5-6-4-7(14)12-10(18)11-6/h4H,2-3,5H2,1H3,(H,16,17)(H2,11,12,14,18)
InChIKeyYLGGBRZXDJCGMX-UHFFFAOYSA-N
XLogP-1.46
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid (CID 60989090) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is YLGGBRZXDJCGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-13(3-2-9(16)17)8(15)5-6-4-7(14)12-10(18)11-6/h4H,2-3,5H2,1H3,(H,16,17)(H2,11,12,14,18).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid?
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 60989090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).