2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid

C8H11N3O4 — CID 53462120

IUPAC2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
SMILESNC(CCn1ccc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H11N3O4/c9-5(7(13)14)1-3-11-4-2-6(12)10-8(11)15/h2,4-5H,1,3,9H2,(H,13,14)(H,10,12,15)
InChIKeyJRUDOTYRCSMXFT-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.66
Rot. Bonds4

About 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid

2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid (PubChem CID 53462120) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
PubChem CID53462120
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid
SMILESNC(CCn1ccc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C8H11N3O4/c9-5(7(13)14)1-3-11-4-2-6(12)10-8(11)15/h2,4-5H,1,3,9H2,(H,13,14)(H,10,12,15)
InChIKeyJRUDOTYRCSMXFT-UHFFFAOYSA-N
XLogP-1.66
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-(2,4-dioxopyrimidin-1-yl)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-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate
CID 6431744
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
[(2S)-2-acetyloxy-4-(2,4-dioxopyrimidin-1-yl)butyl] acetate
CID 70894812
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
2-(2,4-dioxopyrimidin-1-yl)ethyl benzoate
CID 151246005
[4-(2,4-dioxopyrimidin-1-yl)-2-methoxybutyl] 2-methoxyacetate
CID 172580838
[1-amino-6-(2,4-dioxopyrimidin-1-yl)hexan-3-yl] acetate
CID 68502284
1-(2,2-dihydroxyethyl)pyrimidine-2,4-dione
CID 131057862
1-(2-fluoroethyl)pyrimidine-2,4-dione
CID 80694010
1-butylpyrimidine-2,4-dione;methanol;palladium
CID 178051996
4-(2,4-dioxopyrimidin-1-yl)butanoate
CID 6954146

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid (CID 53462120) is 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid is NC(CCn1ccc(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid?
The InChIKey is JRUDOTYRCSMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-5(7(13)14)1-3-11-4-2-6(12)10-8(11)15/h2,4-5H,1,3,9H2,(H,13,14)(H,10,12,15).
What are the key properties of 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid?
2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-dioxopyrimidin-1-yl)butanoic acid is sourced from PubChem (CID 53462120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).