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

C9H11N3O5 — CID 43356391

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-12(4-8(15)16)7(14)3-5-2-6(13)11-9(17)10-5/h2H,3-4H2,1H3,(H,15,16)(H2,10,11,13,17)
InChIKeyBEFJPORQIOKUJO-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.85
Rot. Bonds4

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

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid (PubChem CID 43356391) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
PubChem CID43356391
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-12(4-8(15)16)7(14)3-5-2-6(13)11-9(17)10-5/h2H,3-4H2,1H3,(H,15,16)(H2,10,11,13,17)
InChIKeyBEFJPORQIOKUJO-UHFFFAOYSA-N
XLogP-1.85
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 2149946
(4-Methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-YL)-acetic acid
CID 13926003
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
methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
CID 138968519
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79788561
2-(6-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 12295372
methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
CID 22075431
2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetic acid
CID 141429908
2-(2,6-Dioxo-3-propylpyrimidin-4-yl)acetic acid
CID 251390
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]-methylamino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid (CID 43356391) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid?
The InChIKey is BEFJPORQIOKUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-12(4-8(15)16)7(14)3-5-2-6(13)11-9(17)10-5/h2H,3-4H2,1H3,(H,15,16)(H2,10,11,13,17).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetic acid has a molecular weight of 241.20 g/mol, XLogP of -1.85, 4 rotatable bonds, 3 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]-methylamino]acetic acid is sourced from PubChem (CID 43356391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).