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

C11H19N3O4 — CID 55217098

IUPAC4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC1(C)C(=O)NCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H19N3O4/c1-11(2)9(17)12-6-7-14(11)10(18)13-5-3-4-8(15)16/h3-7H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyLCVXKVXZTRJELH-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds4

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

4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (PubChem CID 55217098) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
PubChem CID55217098
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
SMILESCC1(C)C(=O)NCCN1C(=O)NCCCC(=O)O
InChIInChI=1S/C11H19N3O4/c1-11(2)9(17)12-6-7-14(11)10(18)13-5-3-4-8(15)16/h3-7H2,1-2H3,(H,12,17)(H,13,18)(H,15,16)
InChIKeyLCVXKVXZTRJELH-UHFFFAOYSA-N
XLogP-0.23
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 ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid (CID 55217098) is 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is CC1(C)C(=O)NCCN1C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
The InChIKey is LCVXKVXZTRJELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-11(2)9(17)12-6-7-14(11)10(18)13-5-3-4-8(15)16/h3-7H2,1-2H3,(H,12,17)(H,13,18)(H,15,16).
What are the key properties of 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid?
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 55217098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).