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

C10H12N4O6 — CID 43465493

IUPAC2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H12N4O6/c15-6(11-3-8(17)12-4-9(18)19)1-5-2-7(16)14-10(20)13-5/h2H,1,3-4H2,(H,11,15)(H,12,17)(H,18,19)(H2,13,14,16,20)
InChIKeyJNGMOXXMYNYKEF-UHFFFAOYSA-N
MW284.23 g/mol
LogP-3.08
Rot. Bonds6

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

2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43465493) has the molecular formula C10H12N4O6 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43465493
Molecular FormulaC10H12N4O6
Molecular Weight284.23 g/mol
Exact Mass284.08
IUPAC Name2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H12N4O6/c15-6(11-3-8(17)12-4-9(18)19)1-5-2-7(16)14-10(20)13-5/h2H,1,3-4H2,(H,11,15)(H,12,17)(H,18,19)(H2,13,14,16,20)
InChIKeyJNGMOXXMYNYKEF-UHFFFAOYSA-N
XLogP-3.08
TPSA161.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-3.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

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Related Compounds

Orotyl-glycyl-glycine
CID 12921164
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-dioxo-1H-pyrimidin-6-yl)methylamino]acetic acid
CID 313547
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
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
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354113
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 43354559
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]propanoic acid
CID 43354912

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid (CID 43465493) is 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is JNGMOXXMYNYKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O6/c15-6(11-3-8(17)12-4-9(18)19)1-5-2-7(16)14-10(20)13-5/h2H,1,3-4H2,(H,11,15)(H,12,17)(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 284.23 g/mol, XLogP of -3.08, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).