5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid

C11H17N3O5 — CID 66076418

IUPAC5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H17N3O5/c1-7-10(18)13-8(15)6-14(7)11(19)12-5-3-2-4-9(16)17/h7H,2-6H2,1H3,(H,12,19)(H,16,17)(H,13,15,18)
InChIKeyQZMSJEOJKKAFOI-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.70
Rot. Bonds5

About 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid

5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid (PubChem CID 66076418) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid
PubChem CID66076418
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)NCCCCC(=O)O
InChIInChI=1S/C11H17N3O5/c1-7-10(18)13-8(15)6-14(7)11(19)12-5-3-2-4-9(16)17/h7H,2-6H2,1H3,(H,12,19)(H,16,17)(H,13,15,18)
InChIKeyQZMSJEOJKKAFOI-UHFFFAOYSA-N
XLogP-0.70
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid (CID 66076418) is 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid is CC1C(=O)NC(=O)CN1C(=O)NCCCCC(=O)O.
What is the InChIKey of 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid?
The InChIKey is QZMSJEOJKKAFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-7-10(18)13-8(15)6-14(7)11(19)12-5-3-2-4-9(16)17/h7H,2-6H2,1H3,(H,12,19)(H,16,17)(H,13,15,18).
What are the key properties of 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid?
5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 66076418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).