(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid

C5H8ClNO3 — CID 68541802

IUPAC(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H](Cl)[C@@H]1O
InChIInChI=1S/C5H8ClNO3/c6-2-1-7-3(4(2)8)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3+,4+/m1/s1
InChIKeyCVUWSXWLPLOZFB-UZBSEBFBSA-N
MW165.58 g/mol
LogP-0.99
Rot. Bonds1

About (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid

(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 68541802) has the molecular formula C5H8ClNO3 and a molecular weight of 165.58 g/mol. Its IUPAC name is (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid
PubChem CID68541802
Molecular FormulaC5H8ClNO3
Molecular Weight165.58 g/mol
Exact Mass165.02
IUPAC Name(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@@H](Cl)[C@@H]1O
InChIInChI=1S/C5H8ClNO3/c6-2-1-7-3(4(2)8)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3+,4+/m1/s1
InChIKeyCVUWSXWLPLOZFB-UZBSEBFBSA-N
XLogP-0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.58
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-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 (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid (CID 68541802) is (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NC[C@@H](Cl)[C@@H]1O.
What is the InChIKey of (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is CVUWSXWLPLOZFB-UZBSEBFBSA-N. The full InChI is InChI=1S/C5H8ClNO3/c6-2-1-7-3(4(2)8)5(9)10/h2-4,7-8H,1H2,(H,9,10)/t2-,3+,4+/m1/s1.
What are the key properties of (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid?
(2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 165.58 g/mol, XLogP of -0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-chloro-3-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 68541802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).