(3R)-3-hydroxypyrrolidine-2-carbaldehyde

C5H9NO2 — CID 174721320

IUPAC(3R)-3-hydroxypyrrolidine-2-carbaldehyde
SMILESO=CC1NCC[C@H]1O
InChIInChI=1S/C5H9NO2/c7-3-4-5(8)1-2-6-4/h3-6,8H,1-2H2/t4?,5-/m1/s1
InChIKeyZUBWXLXPEPXIHJ-BRJRFNKRSA-N
MW115.13 g/mol
LogP-1.09
Rot. Bonds1

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

(3R)-3-hydroxypyrrolidine-2-carbaldehyde (PubChem CID 174721320) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is (3R)-3-hydroxypyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name(3R)-3-hydroxypyrrolidine-2-carbaldehyde
PubChem CID174721320
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name(3R)-3-hydroxypyrrolidine-2-carbaldehyde
SMILESO=CC1NCC[C@H]1O
InChIInChI=1S/C5H9NO2/c7-3-4-5(8)1-2-6-4/h3-6,8H,1-2H2/t4?,5-/m1/s1
InChIKeyZUBWXLXPEPXIHJ-BRJRFNKRSA-N
XLogP-1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-hydroxypyrrolidine-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

Related Compounds

trans-3-hydroxy-L-proline
CID 440575
(2S,3S)-3-hydroxypyrrolidinium-2-carboxylate
CID 11877126
cis-3-Hydroxy-d-proline
CID 11137200
3-Hydroxyproline
CID 150779
cis-3-Hydroxy-L-proline
CID 7098652
(2R,3S)-3-hydroxypyrrolidin-1-ium-2-carboxylate
CID 91972251
4-Hydroxypyrrolidine-2-carbaldehyde
CID 20648812
(2S,3R)-3-hydroxypyrrolidinium-2-carboxylate
CID 7098651
3-Hydroxypyrrolidine-2-carboxylic acid
CID 559314
trans-3-hydroxy-D-proline
CID 10725382
(2~{R},3~{R},4~{S})-3-fluoranyl-4-oxidanyl-pyrrolidine-2-carbaldehyde
CID 137349289
(2S)-3-hydroxypyrrolidine-2-carboxamide
CID 18595225

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxypyrrolidine-2-carbaldehyde?
The IUPAC name of (3R)-3-hydroxypyrrolidine-2-carbaldehyde (CID 174721320) is (3R)-3-hydroxypyrrolidine-2-carbaldehyde.
What is the SMILES notation for (3R)-3-hydroxypyrrolidine-2-carbaldehyde?
The canonical SMILES for (3R)-3-hydroxypyrrolidine-2-carbaldehyde is O=CC1NCC[C@H]1O.
What is the InChIKey of (3R)-3-hydroxypyrrolidine-2-carbaldehyde?
The InChIKey is ZUBWXLXPEPXIHJ-BRJRFNKRSA-N. The full InChI is InChI=1S/C5H9NO2/c7-3-4-5(8)1-2-6-4/h3-6,8H,1-2H2/t4?,5-/m1/s1.
What are the key properties of (3R)-3-hydroxypyrrolidine-2-carbaldehyde?
(3R)-3-hydroxypyrrolidine-2-carbaldehyde has a molecular weight of 115.13 g/mol, XLogP of -1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxypyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174721320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).