(3R)-3-aminopyrrolidine-2-carbaldehyde

C5H10N2O — CID 174720036

IUPAC(3R)-3-aminopyrrolidine-2-carbaldehyde
SMILESN[C@@H]1CCNC1C=O
InChIInChI=1S/C5H10N2O/c6-4-1-2-7-5(4)3-8/h3-5,7H,1-2,6H2/t4-,5?/m1/s1
InChIKeyAZYXTTUGWIAQKH-CNZKWPKMSA-N
MW114.15 g/mol
LogP-1.13
Rot. Bonds1

About (3R)-3-aminopyrrolidine-2-carbaldehyde

(3R)-3-aminopyrrolidine-2-carbaldehyde (PubChem CID 174720036) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is (3R)-3-aminopyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-aminopyrrolidine-2-carbaldehyde
PubChem CID174720036
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name(3R)-3-aminopyrrolidine-2-carbaldehyde
SMILESN[C@@H]1CCNC1C=O
InChIInChI=1S/C5H10N2O/c6-4-1-2-7-5(4)3-8/h3-5,7H,1-2,6H2/t4-,5?/m1/s1
InChIKeyAZYXTTUGWIAQKH-CNZKWPKMSA-N
XLogP-1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-aminopyrrolidine-2-carbaldehyde 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 (3R)-3-aminopyrrolidine-2-carbaldehyde?
The IUPAC name of (3R)-3-aminopyrrolidine-2-carbaldehyde (CID 174720036) is (3R)-3-aminopyrrolidine-2-carbaldehyde.
What is the SMILES notation for (3R)-3-aminopyrrolidine-2-carbaldehyde?
The canonical SMILES for (3R)-3-aminopyrrolidine-2-carbaldehyde is N[C@@H]1CCNC1C=O.
What is the InChIKey of (3R)-3-aminopyrrolidine-2-carbaldehyde?
The InChIKey is AZYXTTUGWIAQKH-CNZKWPKMSA-N. The full InChI is InChI=1S/C5H10N2O/c6-4-1-2-7-5(4)3-8/h3-5,7H,1-2,6H2/t4-,5?/m1/s1.
What are the key properties of (3R)-3-aminopyrrolidine-2-carbaldehyde?
(3R)-3-aminopyrrolidine-2-carbaldehyde has a molecular weight of 114.15 g/mol, XLogP of -1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-aminopyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174720036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).