(2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid

C11H12ClNO3 — CID 10131006

IUPAC(2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1
InChIInChI=1S/C11H12ClNO3/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyLUANXJIOUGKVRZ-UWVGGRQHSA-N
MW241.67 g/mol
LogP1.53
Rot. Bonds3

About (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid

(2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid (PubChem CID 10131006) has the molecular formula C11H12ClNO3 and a molecular weight of 241.67 g/mol. Its IUPAC name is (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid
PubChem CID10131006
Molecular FormulaC11H12ClNO3
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name(2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1
InChIInChI=1S/C11H12ClNO3/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyLUANXJIOUGKVRZ-UWVGGRQHSA-N
XLogP1.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-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

Related Compounds

4-(4-Chlorophenoxy)-N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide
CID 50990927
[2-(3-Chloro-phenoxy)-butylamino]-acetic acid
CID 10108471
(2S,4S)-4-phenoxypyrrolidine-2-carboxylic Acid
CID 11160066
CID 54582774
CID 54582774
(2S,4S)-4-(3-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54587697
4-(4-chlorophenoxy)-N-(2-oxooxolan-3-yl)butanamide
CID 56665646
(2S,4S)-4-[(3-chlorophenoxy)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 54580789
(2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid;hydrochloride
CID 54581820
(2S,4S)-4-(2-chlorophenoxy)pyrrolidine-2-carboxylic acid
CID 54583760
(2S,4S)-4-(4-chloro-3-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54585716
tert-butyl (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylate
CID 54587731
(2S,4S)-1-(Tert-butoxycarbonyl)-4-(3-chloro-phenoxy)-2-pyrrolidinecarboxylic acid
CID 26192607

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid (CID 10131006) is (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](Oc2cccc(Cl)c2)CN1.
What is the InChIKey of (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is LUANXJIOUGKVRZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H12ClNO3/c12-7-2-1-3-8(4-7)16-9-5-10(11(14)15)13-6-9/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 241.67 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(3-chlorophenoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10131006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).