1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C11H15N3O5 — CID 66061829

IUPAC1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C11H15N3O5/c1-11(9(17)18)2-3-13(6-11)10(19)14-4-7(15)12-8(16)5-14/h2-6H2,1H3,(H,17,18)(H,12,15,16)
InChIKeyWLYRQKWPSUWBQC-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.14
Rot. Bonds1

About 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 66061829) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID66061829
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CC(=O)NC(=O)C2)C1
InChIInChI=1S/C11H15N3O5/c1-11(9(17)18)2-3-13(6-11)10(19)14-4-7(15)12-8(16)5-14/h2-6H2,1H3,(H,17,18)(H,12,15,16)
InChIKeyWLYRQKWPSUWBQC-UHFFFAOYSA-N
XLogP-1.14
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.14
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

1-(3,5-dioxopiperazine-1-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 66063186
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 114490432
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146888
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 66061829) is 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CC(=O)NC(=O)C2)C1.
What is the InChIKey of 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WLYRQKWPSUWBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-11(9(17)18)2-3-13(6-11)10(19)14-4-7(15)12-8(16)5-14/h2-6H2,1H3,(H,17,18)(H,12,15,16).
What are the key properties of 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of -1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66061829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).