2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid

C18H26N4O6 — CID 59313208

IUPAC2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCNCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H26N4O6/c23-13(24)10-20-15(25)14-16(26)21(11-4-2-1-3-5-11)18(28)22(17(14)27)12-6-8-19-9-7-12/h11-12,19,27H,1-10H2,(H,20,25)(H,23,24)
InChIKeyCOYLXBUQFBRGSR-UHFFFAOYSA-N
MW394.43 g/mol
LogP-0.04
Rot. Bonds5

About 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid

2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 59313208) has the molecular formula C18H26N4O6 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid
PubChem CID59313208
Molecular FormulaC18H26N4O6
Molecular Weight394.43 g/mol
Exact Mass394.19
IUPAC Name2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCNCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H26N4O6/c23-13(24)10-20-15(25)14-16(26)21(11-4-2-1-3-5-11)18(28)22(17(14)27)12-6-8-19-9-7-12/h11-12,19,27H,1-10H2,(H,20,25)(H,23,24)
InChIKeyCOYLXBUQFBRGSR-UHFFFAOYSA-N
XLogP-0.04
TPSA142.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid (CID 59313208) is 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CCNCC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is COYLXBUQFBRGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O6/c23-13(24)10-20-15(25)14-16(26)21(11-4-2-1-3-5-11)18(28)22(17(14)27)12-6-8-19-9-7-12/h11-12,19,27H,1-10H2,(H,20,25)(H,23,24).
What are the key properties of 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid?
2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 394.43 g/mol, XLogP of -0.04, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-4-hydroxy-2,6-dioxo-3-piperidin-4-ylpyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 59313208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).