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

C10H13N3O5 — CID 54901468

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-2-13(5-9(16)17)8(15)4-6-3-7(14)12-10(18)11-6/h3H,2,4-5H2,1H3,(H,16,17)(H2,11,12,14,18)
InChIKeyBAEPGVCJWHYOAB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.46
Rot. Bonds5

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

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid (PubChem CID 54901468) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid
PubChem CID54901468
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-2-13(5-9(16)17)8(15)4-6-3-7(14)12-10(18)11-6/h3H,2,4-5H2,1H3,(H,16,17)(H2,11,12,14,18)
InChIKeyBAEPGVCJWHYOAB-UHFFFAOYSA-N
XLogP-1.46
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid (CID 54901468) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid is CCN(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]-ethylamino]acetic acid?
The InChIKey is BAEPGVCJWHYOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-13(5-9(16)17)8(15)4-6-3-7(14)12-10(18)11-6/h3H,2,4-5H2,1H3,(H,16,17)(H2,11,12,14,18).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.46, 5 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]-ethylamino]acetic acid is sourced from PubChem (CID 54901468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).