2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid

C8H9N3O5 — CID 54529873

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O5/c12-5(9-3-6(13)14)1-4-2-10-8(16)11-7(4)15/h2H,1,3H2,(H,9,12)(H,13,14)(H2,10,11,15,16)
InChIKeyYVSWBZBYUABKEV-UHFFFAOYSA-N
MW227.18 g/mol
LogP-2.19
Rot. Bonds4

About 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid (PubChem CID 54529873) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
PubChem CID54529873
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H9N3O5/c12-5(9-3-6(13)14)1-4-2-10-8(16)11-7(4)15/h2H,1,3H2,(H,9,12)(H,13,14)(H2,10,11,15,16)
InChIKeyYVSWBZBYUABKEV-UHFFFAOYSA-N
XLogP-2.19
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid (CID 54529873) is 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
The InChIKey is YVSWBZBYUABKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c12-5(9-3-6(13)14)1-4-2-10-8(16)11-7(4)15/h2H,1,3H2,(H,9,12)(H,13,14)(H2,10,11,15,16).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid has a molecular weight of 227.18 g/mol, XLogP of -2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54529873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).