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

C11H17N3O5 — CID 66073515

IUPAC4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H17N3O5/c1-7-10(18)12-8(15)6-14(7)11(19)13(2)5-3-4-9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H,12,15,18)
InChIKeySVCNZVOVLQYUGJ-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.75
Rot. Bonds4

About 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid

4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 66073515) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid
PubChem CID66073515
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H17N3O5/c1-7-10(18)12-8(15)6-14(7)11(19)13(2)5-3-4-9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H,12,15,18)
InChIKeySVCNZVOVLQYUGJ-UHFFFAOYSA-N
XLogP-0.75
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid (CID 66073515) is 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid is CC1C(=O)NC(=O)CN1C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is SVCNZVOVLQYUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-7-10(18)12-8(15)6-14(7)11(19)13(2)5-3-4-9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H,12,15,18).
What are the key properties of 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid?
4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 66073515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).