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

C20H29N3O6 — CID 24830402

IUPAC2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCC1CCCCC1n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H29N3O6/c1-12-7-5-6-10-14(12)23-19(28)16(17(26)21-11-15(24)25)18(27)22(20(23)29)13-8-3-2-4-9-13/h12-14,28H,2-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyJAWTVYWBOZTKFE-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.79
Rot. Bonds5

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

2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24830402) has the molecular formula C20H29N3O6 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24830402
Molecular FormulaC20H29N3O6
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESCC1CCCCC1n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C20H29N3O6/c1-12-7-5-6-10-14(12)23-19(28)16(17(26)21-11-15(24)25)18(27)22(20(23)29)13-8-3-2-4-9-13/h12-14,28H,2-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyJAWTVYWBOZTKFE-UHFFFAOYSA-N
XLogP1.79
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24830402) is 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is CC1CCCCC1n1c(O)c(C(=O)NCC(=O)O)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is JAWTVYWBOZTKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O6/c1-12-7-5-6-10-14(12)23-19(28)16(17(26)21-11-15(24)25)18(27)22(20(23)29)13-8-3-2-4-9-13/h12-14,28H,2-11H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 407.47 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24830402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).