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

C18H25N3O6 — CID 24831507

IUPAC2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(CCC2CC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O6/c22-13(23)10-19-15(24)14-16(25)20(9-8-11-6-7-11)18(27)21(17(14)26)12-4-2-1-3-5-12/h11-12,25H,1-10H2,(H,19,24)(H,22,23)
InChIKeyVHHLKSILUMXTGM-UHFFFAOYSA-N
MW379.41 g/mol
LogP0.84
Rot. Bonds7

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

2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (PubChem CID 24831507) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
PubChem CID24831507
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Name2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(CCC2CC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C18H25N3O6/c22-13(23)10-19-15(24)14-16(25)20(9-8-11-6-7-11)18(27)21(17(14)26)12-4-2-1-3-5-12/h11-12,25H,1-10H2,(H,19,24)(H,22,23)
InChIKeyVHHLKSILUMXTGM-UHFFFAOYSA-N
XLogP0.84
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid (CID 24831507) is 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(CCC2CC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
The InChIKey is VHHLKSILUMXTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c22-13(23)10-19-15(24)14-16(25)20(9-8-11-6-7-11)18(27)21(17(14)26)12-4-2-1-3-5-12/h11-12,25H,1-10H2,(H,19,24)(H,22,23).
What are the key properties of 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid?
2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid has a molecular weight of 379.41 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-cyclohexyl-3-(2-cyclopropylethyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 24831507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).