3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid

C9H11N3O5 — CID 43172716

IUPAC3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-4(2-7(14)15)10-8(16)5-3-6(13)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,16)(H,14,15)(H2,11,12,13,17)
InChIKeyMFKFAXLBHGZLFE-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.34
Rot. Bonds4

About 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid

3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 43172716) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
PubChem CID43172716
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-4(2-7(14)15)10-8(16)5-3-6(13)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,16)(H,14,15)(H2,11,12,13,17)
InChIKeyMFKFAXLBHGZLFE-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 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid (CID 43172716) is 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
The InChIKey is MFKFAXLBHGZLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-4(2-7(14)15)10-8(16)5-3-6(13)12-9(17)11-5/h3-4H,2H2,1H3,(H,10,16)(H,14,15)(H2,11,12,13,17).
What are the key properties of 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid?
3-[(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 3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43172716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).