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

C10H17N3O3 — CID 69235282

IUPAC1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C(=O)N1CCCC1
InChIInChI=1S/C10H17N3O3/c14-9(15)8-7-11-3-6-13(8)10(16)12-4-1-2-5-12/h8,11H,1-7H2,(H,14,15)
InChIKeyYGHSOQLUACFJTM-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.44
Rot. Bonds1

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

1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid (PubChem CID 69235282) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid
PubChem CID69235282
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CNCCN1C(=O)N1CCCC1
InChIInChI=1S/C10H17N3O3/c14-9(15)8-7-11-3-6-13(8)10(16)12-4-1-2-5-12/h8,11H,1-7H2,(H,14,15)
InChIKeyYGHSOQLUACFJTM-UHFFFAOYSA-N
XLogP-0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid (CID 69235282) is 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid is O=C(O)C1CNCCN1C(=O)N1CCCC1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is YGHSOQLUACFJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c14-9(15)8-7-11-3-6-13(8)10(16)12-4-1-2-5-12/h8,11H,1-7H2,(H,14,15).
What are the key properties of 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid?
1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 69235282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).