4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid

C8H11N3O4 — CID 70149811

IUPAC4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
SMILESNCCC(C(=O)O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H11N3O4/c9-3-1-5(7(13)14)11-6(12)2-4-10-8(11)15/h2,4-5H,1,3,9H2,(H,10,15)(H,13,14)
InChIKeyMYJMFYBNYJTBNA-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.49
Rot. Bonds4

About 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid

4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid (PubChem CID 70149811) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
PubChem CID70149811
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid
SMILESNCCC(C(=O)O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H11N3O4/c9-3-1-5(7(13)14)11-6(12)2-4-10-8(11)15/h2,4-5H,1,3,9H2,(H,10,15)(H,13,14)
InChIKeyMYJMFYBNYJTBNA-UHFFFAOYSA-N
XLogP-1.49
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 ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
The IUPAC name of 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid (CID 70149811) is 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid.
What is the SMILES notation for 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
The canonical SMILES for 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid is NCCC(C(=O)O)n1c(=O)cc[nH]c1=O.
What is the InChIKey of 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
The InChIKey is MYJMFYBNYJTBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-3-1-5(7(13)14)11-6(12)2-4-10-8(11)15/h2,4-5H,1,3,9H2,(H,10,15)(H,13,14).
What are the key properties of 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid?
4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2,4-dioxo-1H-pyrimidin-3-yl)butanoic acid is sourced from PubChem (CID 70149811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).