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

C10H13N3O5 — CID 43469527

IUPAC2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-6(9(16)17)12-7(14)3-5-4-8(15)13-10(18)11-5/h4,6H,2-3H2,1H3,(H,12,14)(H,16,17)(H2,11,13,15,18)
InChIKeyIQWVYTSGGVLMGD-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.41
Rot. Bonds5

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

2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid (PubChem CID 43469527) 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]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
PubChem CID43469527
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-6(9(16)17)12-7(14)3-5-4-8(15)13-10(18)11-5/h4,6H,2-3H2,1H3,(H,12,14)(H,16,17)(H2,11,13,15,18)
InChIKeyIQWVYTSGGVLMGD-UHFFFAOYSA-N
XLogP-1.41
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic 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-Amino-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)propanoic acid
CID 416708
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264617
3-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-2-(2,2,2-trifluoroacetamido)propanoic acid
CID 165926104
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 16815575
3-methyl-2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
CID 122640246
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-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2S)-1-hydroxybutan-2-yl]acetamide
CID 2149967
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 2149968
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170185
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 43170240
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 43171244

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid (CID 43469527) is 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
The InChIKey is IQWVYTSGGVLMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-6(9(16)17)12-7(14)3-5-4-8(15)13-10(18)11-5/h4,6H,2-3H2,1H3,(H,12,14)(H,16,17)(H2,11,13,15,18).
What are the key properties of 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid?
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.41, 5 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]butanoic acid is sourced from PubChem (CID 43469527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).