2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid

C9H11N3O5 — CID 43469468

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-2-4(8(15)16)10-7(14)5-3-6(13)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,14)(H,15,16)(H2,11,12,13,17)
InChIKeyWNJBJCVXHIZVKE-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.34
Rot. Bonds4

About 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43469468) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
PubChem CID43469468
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-2-4(8(15)16)10-7(14)5-3-6(13)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,14)(H,15,16)(H2,11,12,13,17)
InChIKeyWNJBJCVXHIZVKE-UHFFFAOYSA-N
XLogP-1.34
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid (CID 43469468) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
The InChIKey is WNJBJCVXHIZVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-2-4(8(15)16)10-7(14)5-3-6(13)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,14)(H,15,16)(H2,11,12,13,17).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43469468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).