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

C18H25N3O7 — CID 24832003

IUPAC2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCOCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O7/c22-13(23)10-19-15(24)14-16(25)20(11-4-2-1-3-5-11)18(27)21(17(14)26)12-6-8-28-9-7-12/h11-12,26H,1-10H2,(H,19,24)(H,22,23)
InChIKeyKFONLUAMPAXTDN-UHFFFAOYSA-N
MW395.41 g/mol
LogP0.39
Rot. Bonds5

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

2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24832003) has the molecular formula C18H25N3O7 and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24832003
Molecular FormulaC18H25N3O7
Molecular Weight395.41 g/mol
Exact Mass395.17
IUPAC Name2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCOCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O7/c22-13(23)10-19-15(24)14-16(25)20(11-4-2-1-3-5-11)18(27)21(17(14)26)12-6-8-28-9-7-12/h11-12,26H,1-10H2,(H,19,24)(H,22,23)
InChIKeyKFONLUAMPAXTDN-UHFFFAOYSA-N
XLogP0.39
TPSA139.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-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-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24832003) is 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CCOCC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is KFONLUAMPAXTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O7/c22-13(23)10-19-15(24)14-16(25)20(11-4-2-1-3-5-11)18(27)21(17(14)26)12-6-8-28-9-7-12/h11-12,26H,1-10H2,(H,19,24)(H,22,23).
What are the key properties of 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 395.41 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-4-hydroxy-3-(oxan-4-yl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24832003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).