2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid

C12H17N3O5 — CID 79382570

IUPAC2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C12H17N3O5/c1-6-8(11(18)19)3-4-14(6)12(20)15-5-9(16)13-10(17)7(15)2/h6-8H,3-5H2,1-2H3,(H,18,19)(H,13,16,17)
InChIKeyJUZDDUHYRMXJEI-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.75
Rot. Bonds1

About 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79382570) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79382570
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(=O)NC(=O)CN1C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C12H17N3O5/c1-6-8(11(18)19)3-4-14(6)12(20)15-5-9(16)13-10(17)7(15)2/h6-8H,3-5H2,1-2H3,(H,18,19)(H,13,16,17)
InChIKeyJUZDDUHYRMXJEI-UHFFFAOYSA-N
XLogP-0.75
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
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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Related Compounds

(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
2-(2-methyl-3,5-dioxopiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80997372
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
CID 103514063
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
2-methyl-1-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 102891043
4-(4-aminocyclohexanecarbonyl)-3-methylpiperazine-2,6-dione
CID 66063336
2-[carboxymethyl-(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]acetic acid
CID 66074682
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
4-(7-azabicyclo[2.2.1]heptane-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074655

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid (CID 79382570) is 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid is CC1C(=O)NC(=O)CN1C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JUZDDUHYRMXJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-6-8(11(18)19)3-4-14(6)12(20)15-5-9(16)13-10(17)7(15)2/h6-8H,3-5H2,1-2H3,(H,18,19)(H,13,16,17).
What are the key properties of 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 283.28 g/mol, XLogP of -0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-3,5-dioxopiperazine-1-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79382570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).