4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C13H17N3O5 — CID 79526280

IUPAC4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O5/c17-10(9-6-15-13(21)16-11(9)18)14-5-7-1-3-8(4-2-7)12(19)20/h6-8H,1-5H2,(H,14,17)(H,19,20)(H2,15,16,18,21)
InChIKeyFVFGNHBAISFDTE-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.32
Rot. Bonds4

About 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79526280) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79526280
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C13H17N3O5/c17-10(9-6-15-13(21)16-11(9)18)14-5-7-1-3-8(4-2-7)12(19)20/h6-8H,1-5H2,(H,14,17)(H,19,20)(H2,15,16,18,21)
InChIKeyFVFGNHBAISFDTE-UHFFFAOYSA-N
XLogP-0.32
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79526280) is 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is O=C(NCC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FVFGNHBAISFDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10(9-6-15-13(21)16-11(9)18)14-5-7-1-3-8(4-2-7)12(19)20/h6-8H,1-5H2,(H,14,17)(H,19,20)(H2,15,16,18,21).
What are the key properties of 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.30 g/mol, XLogP of -0.32, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79526280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).