2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid

C13H17N3O5 — CID 64671932

IUPAC2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H17N3O5/c17-9-6-8(14-12(21)15-9)11(20)16-13(7-10(18)19)4-2-1-3-5-13/h6H,1-5,7H2,(H,16,20)(H,18,19)(H2,14,15,17,21)
InChIKeyBYAAHSOOXUUJBT-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.03
Rot. Bonds4

About 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64671932) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64671932
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCCCC1
InChIInChI=1S/C13H17N3O5/c17-9-6-8(14-12(21)15-9)11(20)16-13(7-10(18)19)4-2-1-3-5-13/h6H,1-5,7H2,(H,16,20)(H,18,19)(H2,14,15,17,21)
InChIKeyBYAAHSOOXUUJBT-UHFFFAOYSA-N
XLogP-0.03
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid (CID 64671932) is 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)CCCCC1.
What is the InChIKey of 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is BYAAHSOOXUUJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-9-6-8(14-12(21)15-9)11(20)16-13(7-10(18)19)4-2-1-3-5-13/h6H,1-5,7H2,(H,16,20)(H,18,19)(H2,14,15,17,21).
What are the key properties of 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 295.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64671932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).