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

C13H17N3O5 — CID 61014906

IUPAC2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H17N3O5/c17-9-6-8(14-13(21)15-9)11(18)16-10(12(19)20)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H,16,18)(H,19,20)(H2,14,15,17,21)
InChIKeyAEHXXFQHZKVPMH-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.17
Rot. Bonds4

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

2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 61014906) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID61014906
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C13H17N3O5/c17-9-6-8(14-13(21)15-9)11(18)16-10(12(19)20)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H,16,18)(H,19,20)(H2,14,15,17,21)
InChIKeyAEHXXFQHZKVPMH-UHFFFAOYSA-N
XLogP-0.17
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 ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (CID 61014906) is 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CCCCC1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is AEHXXFQHZKVPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-9-6-8(14-13(21)15-9)11(18)16-10(12(19)20)7-4-2-1-3-5-7/h6-7,10H,1-5H2,(H,16,18)(H,19,20)(H2,14,15,17,21).
What are the key properties of 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of -0.17, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 61014906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).