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

C16H21N3O6 — CID 24830237

IUPAC2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C16H21N3O6/c20-11(21)8-17-13(22)12-14(23)18(9-4-2-1-3-5-9)16(25)19(15(12)24)10-6-7-10/h9-10,24H,1-8H2,(H,17,22)(H,20,21)
InChIKeyPFBNNUUOQUDUMM-UHFFFAOYSA-N
MW351.36 g/mol
LogP0.37
Rot. Bonds5

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

2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 24830237) has the molecular formula C16H21N3O6 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
PubChem CID24830237
Molecular FormulaC16H21N3O6
Molecular Weight351.36 g/mol
Exact Mass351.14
IUPAC Name2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CC2)c(=O)n(C2CCCCC2)c1=O
InChIInChI=1S/C16H21N3O6/c20-11(21)8-17-13(22)12-14(23)18(9-4-2-1-3-5-9)16(25)19(15(12)24)10-6-7-10/h9-10,24H,1-8H2,(H,17,22)(H,20,21)
InChIKeyPFBNNUUOQUDUMM-UHFFFAOYSA-N
XLogP0.37
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 50.37
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-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (CID 24830237) is 2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CC2)c(=O)n(C2CCCCC2)c1=O.
What is the InChIKey of 2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is PFBNNUUOQUDUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O6/c20-11(21)8-17-13(22)12-14(23)18(9-4-2-1-3-5-9)16(25)19(15(12)24)10-6-7-10/h9-10,24H,1-8H2,(H,17,22)(H,20,21).
What are the key properties of 2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
2-[(1-cyclohexyl-3-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 351.36 g/mol, XLogP of 0.37, 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-cyclopropyl-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 24830237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).