2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid

C11H15N3O5 — CID 84558327

IUPAC2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-4-7(10(17)18)12-8(15)6-5-13(2)11(19)14(3)9(6)16/h5,7H,4H2,1-3H3,(H,12,15)(H,17,18)
InChIKeyXVUPDPLPUHEVDW-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.32
Rot. Bonds4

About 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid

2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid (PubChem CID 84558327) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid
PubChem CID84558327
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-4-7(10(17)18)12-8(15)6-5-13(2)11(19)14(3)9(6)16/h5,7H,4H2,1-3H3,(H,12,15)(H,17,18)
InChIKeyXVUPDPLPUHEVDW-UHFFFAOYSA-N
XLogP-1.32
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid (CID 84558327) is 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid is CCC(NC(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid?
The InChIKey is XVUPDPLPUHEVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-4-7(10(17)18)12-8(15)6-5-13(2)11(19)14(3)9(6)16/h5,7H,4H2,1-3H3,(H,12,15)(H,17,18).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid?
2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 84558327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).