(2R,3R)-3-chloropyrrolidine-2-carboxylic acid

C5H8ClNO2 — CID 55301751

IUPAC(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@H]1Cl
InChIInChI=1S/C5H8ClNO2/c6-3-1-2-7-4(3)5(8)9/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKeyUCDAVCDTTKQWAE-DMTCNVIQSA-N
MW149.58 g/mol
LogP0.04
Rot. Bonds1

About (2R,3R)-3-chloropyrrolidine-2-carboxylic acid

(2R,3R)-3-chloropyrrolidine-2-carboxylic acid (PubChem CID 55301751) has the molecular formula C5H8ClNO2 and a molecular weight of 149.58 g/mol. Its IUPAC name is (2R,3R)-3-chloropyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
PubChem CID55301751
Molecular FormulaC5H8ClNO2
Molecular Weight149.58 g/mol
Exact Mass149.02
IUPAC Name(2R,3R)-3-chloropyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NCC[C@H]1Cl
InChIInChI=1S/C5H8ClNO2/c6-3-1-2-7-4(3)5(8)9/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKeyUCDAVCDTTKQWAE-DMTCNVIQSA-N
XLogP0.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-chloropyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-chloropyrrolidine-2-carboxylic acid (CID 55301751) is (2R,3R)-3-chloropyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-chloropyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-chloropyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NCC[C@H]1Cl.
What is the InChIKey of (2R,3R)-3-chloropyrrolidine-2-carboxylic acid?
The InChIKey is UCDAVCDTTKQWAE-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8ClNO2/c6-3-1-2-7-4(3)5(8)9/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1.
What are the key properties of (2R,3R)-3-chloropyrrolidine-2-carboxylic acid?
(2R,3R)-3-chloropyrrolidine-2-carboxylic acid has a molecular weight of 149.58 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-chloropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55301751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).