3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

C11H19N3O3 — CID 102781941

IUPAC3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCNCC2)C1C(=O)O
InChIInChI=1S/C11H19N3O3/c1-8-2-5-14(9(8)10(15)16)11(17)13-6-3-12-4-7-13/h8-9,12H,2-7H2,1H3,(H,15,16)
InChIKeyPXEFALJFFIXZCE-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.19
Rot. Bonds1

About 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102781941) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102781941
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N2CCNCC2)C1C(=O)O
InChIInChI=1S/C11H19N3O3/c1-8-2-5-14(9(8)10(15)16)11(17)13-6-3-12-4-7-13/h8-9,12H,2-7H2,1H3,(H,15,16)
InChIKeyPXEFALJFFIXZCE-UHFFFAOYSA-N
XLogP-0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid (CID 102781941) is 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N2CCNCC2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PXEFALJFFIXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-8-2-5-14(9(8)10(15)16)11(17)13-6-3-12-4-7-13/h8-9,12H,2-7H2,1H3,(H,15,16).
What are the key properties of 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(piperazine-1-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).