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

C13H17N3O6 — CID 59313199

IUPAC2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O6/c17-8(18)6-14-10(19)9-11(20)15-13(22)16(12(9)21)7-4-2-1-3-5-7/h7,21H,1-6H2,(H,14,19)(H,17,18)(H,15,20,22)
InChIKeyKRONOEMBMKPKHU-UHFFFAOYSA-N
MW311.29 g/mol
LogP-0.44
Rot. Bonds4

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

2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 59313199) has the molecular formula C13H17N3O6 and a molecular weight of 311.29 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid
PubChem CID59313199
Molecular FormulaC13H17N3O6
Molecular Weight311.29 g/mol
Exact Mass311.11
IUPAC Name2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O6/c17-8(18)6-14-10(19)9-11(20)15-13(22)16(12(9)21)7-4-2-1-3-5-7/h7,21H,1-6H2,(H,14,19)(H,17,18)(H,15,20,22)
InChIKeyKRONOEMBMKPKHU-UHFFFAOYSA-N
XLogP-0.44
TPSA141.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid (CID 59313199) is 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is KRONOEMBMKPKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O6/c17-8(18)6-14-10(19)9-11(20)15-13(22)16(12(9)21)7-4-2-1-3-5-7/h7,21H,1-6H2,(H,14,19)(H,17,18)(H,15,20,22).
What are the key properties of 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid?
2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 311.29 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 59313199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).