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

C18H25N3O6 — CID 24830239

IUPAC2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O6/c22-13(23)10-19-15(24)14-16(25)20(11-6-2-1-3-7-11)18(27)21(17(14)26)12-8-4-5-9-12/h11-12,26H,1-10H2,(H,19,24)(H,22,23)
InChIKeyTUUUKIRPZGRAKB-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.15
Rot. Bonds5

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

2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 24830239) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
PubChem CID24830239
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O6/c22-13(23)10-19-15(24)14-16(25)20(11-6-2-1-3-7-11)18(27)21(17(14)26)12-8-4-5-9-12/h11-12,26H,1-10H2,(H,19,24)(H,22,23)
InChIKeyTUUUKIRPZGRAKB-UHFFFAOYSA-N
XLogP1.15
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(1,3-Dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamido)acetic acid
CID 24831508
Ethyl (1,3-dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonyl)glycinate
CID 68635833
N-{[1-Cyclohexyl-3-(2-cyclohexylethyl)-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}glycine
CID 24829738
2-[[1-Cyclohexyl-4-hydroxy-3-(4-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830070
2-[[1-Cyclohexyl-3-(cyclohexylmethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830074
2-[(1-Cycloheptyl-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid
CID 24830075
2-[[1-Cyclohexyl-6-hydroxy-3-(3-methylcyclohexyl)-2,4-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830236
2-[(1-Cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
CID 24830237
2-[(1-Cyclobutyl-3-cyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
CID 24830238
N-[(1,3-Dihexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]glycine
CID 24830401
2-[[1-Cyclohexyl-4-hydroxy-3-(2-methylcyclohexyl)-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830402
N-[(1-Cyclohexyl-3-hexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]glycine
CID 24830404

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (CID 24830239) is 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CCCC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is TUUUKIRPZGRAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c22-13(23)10-19-15(24)14-16(25)20(11-6-2-1-3-7-11)18(27)21(17(14)26)12-8-4-5-9-12/h11-12,26H,1-10H2,(H,19,24)(H,22,23).
What are the key properties of 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 379.41 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-3-cyclopentyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 24830239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).