2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

C8H9N3O5 — CID 43354559

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O5/c12-5(9-3-7(14)15)1-4-2-6(13)11-8(16)10-4/h2H,1,3H2,(H,9,12)(H,14,15)(H2,10,11,13,16)
InChIKeyKHVWHJXTQCVPSZ-UHFFFAOYSA-N
MW227.18 g/mol
LogP-2.19
Rot. Bonds4

About 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 43354559) 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-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
PubChem CID43354559
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H9N3O5/c12-5(9-3-7(14)15)1-4-2-6(13)11-8(16)10-4/h2H,1,3H2,(H,9,12)(H,14,15)(H2,10,11,13,16)
InChIKeyKHVWHJXTQCVPSZ-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

Analyze 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid with MolForge

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Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxypropyl)acetamide
CID 16195692
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-hydroxyethyl)acetamide
CID 2149963
2-(2,4-dioxo-1H-pyrimidin-6-yl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
CID 91074666
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
CID 141429908
2-[(6-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
CID 150251676
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 2149965
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 2149966
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43171702

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (CID 43354559) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The InChIKey is KHVWHJXTQCVPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c12-5(9-3-7(14)15)1-4-2-6(13)11-8(16)10-4/h2H,1,3H2,(H,9,12)(H,14,15)(H2,10,11,13,16).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-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-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43354559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).