1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

C11H17N3O4 — CID 107432800

IUPAC1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCN1CCC(C(=O)N2CC(=O)NCC2C(=O)O)C1
InChIInChI=1S/C11H17N3O4/c1-13-3-2-7(5-13)10(16)14-6-9(15)12-4-8(14)11(17)18/h7-8H,2-6H2,1H3,(H,12,15)(H,17,18)
InChIKeyHLTGIEGWHFMHJE-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.65
Rot. Bonds2

About 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107432800) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107432800
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESCN1CCC(C(=O)N2CC(=O)NCC2C(=O)O)C1
InChIInChI=1S/C11H17N3O4/c1-13-3-2-7(5-13)10(16)14-6-9(15)12-4-8(14)11(17)18/h7-8H,2-6H2,1H3,(H,12,15)(H,17,18)
InChIKeyHLTGIEGWHFMHJE-UHFFFAOYSA-N
XLogP-1.65
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107432800) is 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is CN1CCC(C(=O)N2CC(=O)NCC2C(=O)O)C1.
What is the InChIKey of 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is HLTGIEGWHFMHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-13-3-2-7(5-13)10(16)14-6-9(15)12-4-8(14)11(17)18/h7-8H,2-6H2,1H3,(H,12,15)(H,17,18).
What are the key properties of 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of -1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107432800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).