5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid

C11H15N3O5 — CID 98129619

IUPAC5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid
SMILESCC(=O)NC1=NC(=O)[C@H](CCCCC(=O)O)C(=O)N1
InChIInChI=1S/C11H15N3O5/c1-6(15)12-11-13-9(18)7(10(19)14-11)4-2-3-5-8(16)17/h7H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15,18,19)
InChIKeyPKEQSGHRSSSKFF-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.60
Rot. Bonds5

About 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid

5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid (PubChem CID 98129619) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid.

Molecular Properties

Compound Name5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid
PubChem CID98129619
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid
SMILESCC(=O)NC1=NC(=O)[C@H](CCCCC(=O)O)C(=O)N1
InChIInChI=1S/C11H15N3O5/c1-6(15)12-11-13-9(18)7(10(19)14-11)4-2-3-5-8(16)17/h7H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15,18,19)
InChIKeyPKEQSGHRSSSKFF-UHFFFAOYSA-N
XLogP-0.60
TPSA124.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid?
The IUPAC name of 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid (CID 98129619) is 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid.
What is the SMILES notation for 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid?
The canonical SMILES for 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid is CC(=O)NC1=NC(=O)[C@H](CCCCC(=O)O)C(=O)N1.
What is the InChIKey of 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid?
The InChIKey is PKEQSGHRSSSKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-6(15)12-11-13-9(18)7(10(19)14-11)4-2-3-5-8(16)17/h7H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15,18,19).
What are the key properties of 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid?
5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-2-acetamido-4,6-dioxo-1H-pyrimidin-5-yl]pentanoic acid is sourced from PubChem (CID 98129619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).