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

C17H23N3O6 — CID 24830238

IUPAC2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCC2)c1=O
InChIInChI=1S/C17H23N3O6/c21-12(22)9-18-14(23)13-15(24)19(10-5-2-1-3-6-10)17(26)20(16(13)25)11-7-4-8-11/h10-11,24H,1-9H2,(H,18,23)(H,21,22)
InChIKeyGTRSHBZOLFDWHX-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.76
Rot. Bonds5

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

2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 24830238) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
PubChem CID24830238
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Name2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCC2)c1=O
InChIInChI=1S/C17H23N3O6/c21-12(22)9-18-14(23)13-15(24)19(10-5-2-1-3-6-10)17(26)20(16(13)25)11-7-4-8-11/h10-11,24H,1-9H2,(H,18,23)(H,21,22)
InChIKeyGTRSHBZOLFDWHX-UHFFFAOYSA-N
XLogP0.76
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (CID 24830238) is 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)n(C2CCC2)c1=O.
What is the InChIKey of 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is GTRSHBZOLFDWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c21-12(22)9-18-14(23)13-15(24)19(10-5-2-1-3-6-10)17(26)20(16(13)25)11-7-4-8-11/h10-11,24H,1-9H2,(H,18,23)(H,21,22).
What are the key properties of 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 365.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 24830238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).