4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid

C11H17N3O6 — CID 107840352

IUPAC4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H17N3O6/c1-11(2)9(19)13-7(16)5-14(11)10(20)12-4-3-6(15)8(17)18/h6,15H,3-5H2,1-2H3,(H,12,20)(H,17,18)(H,13,16,19)
InChIKeyCHAMUBNONLKKDP-UHFFFAOYSA-N
MW287.27 g/mol
LogP-1.73
Rot. Bonds4

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

4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107840352) has the molecular formula C11H17N3O6 and a molecular weight of 287.27 g/mol. Its IUPAC name is 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107840352
Molecular FormulaC11H17N3O6
Molecular Weight287.27 g/mol
Exact Mass287.11
IUPAC Name4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H17N3O6/c1-11(2)9(19)13-7(16)5-14(11)10(20)12-4-3-6(15)8(17)18/h6,15H,3-5H2,1-2H3,(H,12,20)(H,17,18)(H,13,16,19)
InChIKeyCHAMUBNONLKKDP-UHFFFAOYSA-N
XLogP-1.73
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,2-Dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
4-[(2,2-Dimethyl-3-oxopiperazine-1-carbonyl)-methylamino]butanoic acid
CID 63607800
4-[(2,2-Dimethyl-3,5-dioxopiperazine-1-carbonyl)-methylamino]butanoic acid
CID 66076377
4-[(2,2-Dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]butanoic acid
CID 66076388
3-[(2,2-Dimethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165140
3-[(2-Ethyl-3-oxopiperazine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66165142
3-[(2-Ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166786
3-[(2,2-Dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166974
2-Hydroxy-3-[(2,2,4-trimethyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 80235922
4-[(2,2,4-Trimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 80236036
4-[(2,4-Dimethylpiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 105582671
4-[[2-[Ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-hydroxybutanoic acid
CID 105966545

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid (CID 107840352) is 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid is CC1(C)C(=O)NC(=O)CN1C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is CHAMUBNONLKKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O6/c1-11(2)9(19)13-7(16)5-14(11)10(20)12-4-3-6(15)8(17)18/h6,15H,3-5H2,1-2H3,(H,12,20)(H,17,18)(H,13,16,19).
What are the key properties of 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid?
4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 287.27 g/mol, XLogP of -1.73, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).