2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid

C15H23N3O6 — CID 59313214

IUPAC2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESCCCCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CCCC)c1=O
InChIInChI=1S/C15H23N3O6/c1-3-5-7-17-13(22)11(12(21)16-9-10(19)20)14(23)18(15(17)24)8-6-4-2/h22H,3-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyWCQJUSDVLOOLOL-UHFFFAOYSA-N
MW341.36 g/mol
LogP0.13
Rot. Bonds9

About 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid

2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 59313214) has the molecular formula C15H23N3O6 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
PubChem CID59313214
Molecular FormulaC15H23N3O6
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESCCCCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CCCC)c1=O
InChIInChI=1S/C15H23N3O6/c1-3-5-7-17-13(22)11(12(21)16-9-10(19)20)14(23)18(15(17)24)8-6-4-2/h22H,3-9H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyWCQJUSDVLOOLOL-UHFFFAOYSA-N
XLogP0.13
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (CID 59313214) is 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is CCCCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(CCCC)c1=O.
What is the InChIKey of 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is WCQJUSDVLOOLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6/c1-3-5-7-17-13(22)11(12(21)16-9-10(19)20)14(23)18(15(17)24)8-6-4-2/h22H,3-9H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 341.36 g/mol, XLogP of 0.13, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dibutyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 59313214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).