(2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid

C6H11N3O4 — CID 10330132

IUPAC(2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid
SMILESNN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)/t3-,6-/m1/s1
InChIKeyMJUZIVFENBZUFH-AWFVSMACSA-N
MW189.17 g/mol
LogP-2.20
Rot. Bonds2

About (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid

(2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid (PubChem CID 10330132) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid
PubChem CID10330132
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name(2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid
SMILESNN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O
InChIInChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)/t3-,6-/m1/s1
InChIKeyMJUZIVFENBZUFH-AWFVSMACSA-N
XLogP-2.20
TPSA129.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic 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 (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid (CID 10330132) is (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid is NN1C[C@@](N)(C(=O)O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid?
The InChIKey is MJUZIVFENBZUFH-AWFVSMACSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-6(5(12)13)1-3(4(10)11)9(8)2-6/h3H,1-2,7-8H2,(H,10,11)(H,12,13)/t3-,6-/m1/s1.
What are the key properties of (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid has a molecular weight of 189.17 g/mol, XLogP of -2.20, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1,4-diaminopyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 10330132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).