2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid

C10H13N3O5 — CID 54901429

IUPAC2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-2-12(6-9(16)17)8(15)5-13-4-3-7(14)11-10(13)18/h3-4H,2,5-6H2,1H3,(H,16,17)(H,11,14,18)
InChIKeyLDZROOFLKMNGHZ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.53
Rot. Bonds5

About 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid

2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid (PubChem CID 54901429) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
PubChem CID54901429
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H13N3O5/c1-2-12(6-9(16)17)8(15)5-13-4-3-7(14)11-10(13)18/h3-4H,2,5-6H2,1H3,(H,16,17)(H,11,14,18)
InChIKeyLDZROOFLKMNGHZ-UHFFFAOYSA-N
XLogP-1.53
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
CID 61010746
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-[2-[[(4-methoxyphenyl)-diphenylmethyl]amino]ethyl]amino]acetic acid
CID 10940516
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 34500280
ethyl 2-[cyclopropyl-[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 47794810
2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 50970037
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
2-(2,4-dioxopyrimidin-1-yl)-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 137343230
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60598705
3-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[(E)-3-phenylprop-2-enyl]propanamide
CID 50982925
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
1-[2-(4-ethoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62024838

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid (CID 54901429) is 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid?
The InChIKey is LDZROOFLKMNGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-12(6-9(16)17)8(15)5-13-4-3-7(14)11-10(13)18/h3-4H,2,5-6H2,1H3,(H,16,17)(H,11,14,18).
What are the key properties of 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid?
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid has a molecular weight of 255.23 g/mol, XLogP of -1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid is sourced from PubChem (CID 54901429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).