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

C25H37N3O6 — CID 24831194

IUPAC2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCC(C3CCCCC3)CC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C25H37N3O6/c29-20(30)15-26-22(31)21-23(32)27(18-9-5-2-6-10-18)25(34)28(24(21)33)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h16-19,33H,1-15H2,(H,26,31)(H,29,30)
InChIKeyDNCYGSJFMCSLAN-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.35
Rot. Bonds6

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

2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24831194) has the molecular formula C25H37N3O6 and a molecular weight of 475.59 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24831194
Molecular FormulaC25H37N3O6
Molecular Weight475.59 g/mol
Exact Mass475.27
IUPAC Name2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCC(C3CCCCC3)CC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C25H37N3O6/c29-20(30)15-26-22(31)21-23(32)27(18-9-5-2-6-10-18)25(34)28(24(21)33)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h16-19,33H,1-15H2,(H,26,31)(H,29,30)
InChIKeyDNCYGSJFMCSLAN-UHFFFAOYSA-N
XLogP3.35
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24831194) is 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CCC(C3CCCCC3)CC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is DNCYGSJFMCSLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O6/c29-20(30)15-26-22(31)21-23(32)27(18-9-5-2-6-10-18)25(34)28(24(21)33)19-13-11-17(12-14-19)16-7-3-1-4-8-16/h16-19,33H,1-15H2,(H,26,31)(H,29,30).
What are the key properties of 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 475.59 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-3-(4-cyclohexylcyclohexyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24831194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).