(2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid

C9H16N2O4 — CID 67760767

IUPAC(2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNCCC[C@]1(C(=O)O)CN[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16N2O4/c10-3-1-2-9(8(14)15)4-6(7(12)13)11-5-9/h6,11H,1-5,10H2,(H,12,13)(H,14,15)/t6-,9-/m1/s1
InChIKeyNWPFMZNZCHRSSK-HZGVNTEJSA-N
MW216.24 g/mol
LogP-0.76
Rot. Bonds5

About (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid

(2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 67760767) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID67760767
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name(2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid
SMILESNCCC[C@]1(C(=O)O)CN[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16N2O4/c10-3-1-2-9(8(14)15)4-6(7(12)13)11-5-9/h6,11H,1-5,10H2,(H,12,13)(H,14,15)/t6-,9-/m1/s1
InChIKeyNWPFMZNZCHRSSK-HZGVNTEJSA-N
XLogP-0.76
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-4-(3-aminopropyl)pyrrolidine-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)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid (CID 67760767) is (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid is NCCC[C@]1(C(=O)O)CN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is NWPFMZNZCHRSSK-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H16N2O4/c10-3-1-2-9(8(14)15)4-6(7(12)13)11-5-9/h6,11H,1-5,10H2,(H,12,13)(H,14,15)/t6-,9-/m1/s1.
What are the key properties of (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 216.24 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(3-aminopropyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 67760767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).