1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid

C12H21N3O2 — CID 55141799

IUPAC1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CCN(C2CC2)C1
InChIInChI=1S/C12H21N3O2/c16-11(17)12(15-7-4-13-5-8-15)3-6-14(9-12)10-1-2-10/h10,13H,1-9H2,(H,16,17)
InChIKeyUQDMQYZSQXYNIR-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.42
Rot. Bonds3

About 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid

1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid (PubChem CID 55141799) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid
PubChem CID55141799
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CCN(C2CC2)C1
InChIInChI=1S/C12H21N3O2/c16-11(17)12(15-7-4-13-5-8-15)3-6-14(9-12)10-1-2-10/h10,13H,1-9H2,(H,16,17)
InChIKeyUQDMQYZSQXYNIR-UHFFFAOYSA-N
XLogP-0.42
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid (CID 55141799) is 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid is O=C(O)C1(N2CCNCC2)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid?
The InChIKey is UQDMQYZSQXYNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(17)12(15-7-4-13-5-8-15)3-6-14(9-12)10-1-2-10/h10,13H,1-9H2,(H,16,17).
What are the key properties of 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid?
1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid has a molecular weight of 239.32 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-piperazin-1-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55141799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).