2-carbamoylpiperazine-2-carboxylic acid

C6H11N3O3 — CID 70138220

IUPAC2-carbamoylpiperazine-2-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CNCCN1
InChIInChI=1S/C6H11N3O3/c7-4(10)6(5(11)12)3-8-1-2-9-6/h8-9H,1-3H2,(H2,7,10)(H,11,12)
InChIKeyQQWHJDGUWWKCAG-UHFFFAOYSA-N
MW173.17 g/mol
LogP-2.51
Rot. Bonds2

About 2-carbamoylpiperazine-2-carboxylic acid

2-carbamoylpiperazine-2-carboxylic acid (PubChem CID 70138220) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-carbamoylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name2-carbamoylpiperazine-2-carboxylic acid
PubChem CID70138220
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name2-carbamoylpiperazine-2-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CNCCN1
InChIInChI=1S/C6H11N3O3/c7-4(10)6(5(11)12)3-8-1-2-9-6/h8-9H,1-3H2,(H2,7,10)(H,11,12)
InChIKeyQQWHJDGUWWKCAG-UHFFFAOYSA-N
XLogP-2.51
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-2.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-carbamoylpiperazine-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 2-carbamoylpiperazine-2-carboxylic acid?
The IUPAC name of 2-carbamoylpiperazine-2-carboxylic acid (CID 70138220) is 2-carbamoylpiperazine-2-carboxylic acid.
What is the SMILES notation for 2-carbamoylpiperazine-2-carboxylic acid?
The canonical SMILES for 2-carbamoylpiperazine-2-carboxylic acid is NC(=O)C1(C(=O)O)CNCCN1.
What is the InChIKey of 2-carbamoylpiperazine-2-carboxylic acid?
The InChIKey is QQWHJDGUWWKCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c7-4(10)6(5(11)12)3-8-1-2-9-6/h8-9H,1-3H2,(H2,7,10)(H,11,12).
What are the key properties of 2-carbamoylpiperazine-2-carboxylic acid?
2-carbamoylpiperazine-2-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -2.51, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoylpiperazine-2-carboxylic acid is sourced from PubChem (CID 70138220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).