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

C11H15N3O5 — CID 61008156

IUPAC3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-2-14(4-3-10(17)18)9(16)6-7-5-8(15)13-11(19)12-7/h5H,2-4,6H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyIZBAZPGTKQUKCK-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.07
Rot. Bonds6

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

3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid (PubChem CID 61008156) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid
PubChem CID61008156
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H15N3O5/c1-2-14(4-3-10(17)18)9(16)6-7-5-8(15)13-11(19)12-7/h5H,2-4,6H2,1H3,(H,17,18)(H2,12,13,15,19)
InChIKeyIZBAZPGTKQUKCK-UHFFFAOYSA-N
XLogP-1.07
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.07
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]-ethylamino]propanoic acid?
The IUPAC name of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid (CID 61008156) is 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid is CCN(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]-ethylamino]propanoic acid?
The InChIKey is IZBAZPGTKQUKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-2-14(4-3-10(17)18)9(16)6-7-5-8(15)13-11(19)12-7/h5H,2-4,6H2,1H3,(H,17,18)(H2,12,13,15,19).
What are the key properties of 3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid?
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.07, 6 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]-ethylamino]propanoic acid is sourced from PubChem (CID 61008156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).