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

C11H16N4O6 — CID 66076222

IUPAC5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H16N4O6/c1-5-9(18)14-8(17)4-15(5)11(21)13-6(10(19)20)2-3-7(12)16/h5-6H,2-4H2,1H3,(H2,12,16)(H,13,21)(H,19,20)(H,14,17,18)
InChIKeyZRKNRWCSIYUYQF-UHFFFAOYSA-N
MW300.27 g/mol
LogP-2.24
Rot. Bonds5

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

5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 66076222) has the molecular formula C11H16N4O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID66076222
Molecular FormulaC11H16N4O6
Molecular Weight300.27 g/mol
Exact Mass300.11
IUPAC Name5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H16N4O6/c1-5-9(18)14-8(17)4-15(5)11(21)13-6(10(19)20)2-3-7(12)16/h5-6H,2-4H2,1H3,(H2,12,16)(H,13,21)(H,19,20)(H,14,17,18)
InChIKeyZRKNRWCSIYUYQF-UHFFFAOYSA-N
XLogP-2.24
TPSA158.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-5-amino-2-[(2-methyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830881
(2S)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107828246
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
(2S)-2-[(2-ethyl-3,5-dioxopiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 66068025
5-amino-2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 61201292
3-[[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 81069320
5-amino-5-oxo-2-[(3-oxopiperazine-1-carbonyl)amino]pentanoic acid
CID 61181984
(2R)-5-amino-2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 104935529
(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619
5-amino-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61188573
(2S)-5-amino-2-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 63606784
(2S)-2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)-5-amino-5-oxopentanoic acid
CID 82753203

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid (CID 66076222) is 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid is CC1C(=O)NC(=O)CN1C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is ZRKNRWCSIYUYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O6/c1-5-9(18)14-8(17)4-15(5)11(21)13-6(10(19)20)2-3-7(12)16/h5-6H,2-4H2,1H3,(H2,12,16)(H,13,21)(H,19,20)(H,14,17,18).
What are the key properties of 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 300.27 g/mol, XLogP of -2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 66076222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).