3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid

C11H19N3O4 — CID 81069306

IUPAC3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC(CNC(=O)N1CCNC(=O)C1C)CC(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(5-9(15)16)6-13-11(18)14-4-3-12-10(17)8(14)2/h7-8H,3-6H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyYCTTYJKSVYZWLP-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.37
Rot. Bonds4

About 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid

3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 81069306) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
PubChem CID81069306
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC(CNC(=O)N1CCNC(=O)C1C)CC(=O)O
InChIInChI=1S/C11H19N3O4/c1-7(5-9(15)16)6-13-11(18)14-4-3-12-10(17)8(14)2/h7-8H,3-6H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyYCTTYJKSVYZWLP-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (CID 81069306) is 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is CC(CNC(=O)N1CCNC(=O)C1C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is YCTTYJKSVYZWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(5-9(15)16)6-13-11(18)14-4-3-12-10(17)8(14)2/h7-8H,3-6H2,1-2H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 81069306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).