(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid

C11H10ClNO3 — CID 129366152

IUPAC(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@@H](c2cccc(Cl)c2)[C@H](C(=O)O)N1
InChIInChI=1S/C11H10ClNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)/t8-,10+/m0/s1
InChIKeyIGCXWZBBWWUORU-WCBMZHEXSA-N
MW239.66 g/mol
LogP1.40
Rot. Bonds2

About (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid

(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 129366152) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
PubChem CID129366152
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@@H](c2cccc(Cl)c2)[C@H](C(=O)O)N1
InChIInChI=1S/C11H10ClNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)/t8-,10+/m0/s1
InChIKeyIGCXWZBBWWUORU-WCBMZHEXSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83642665
(2S,3R)-3-(3-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366137
3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 72810364
3-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359970
ethyl 3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360299
3-(3-nitrophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 174402699
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
3-(4-bromophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83665906
3-(3,5-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360038
3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359926
(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108
2-(3-chlorophenyl)cyclobutan-1-ol
CID 126971921

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid (CID 129366152) is (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid is O=C1C[C@@H](c2cccc(Cl)c2)[C@H](C(=O)O)N1.
What is the InChIKey of (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is IGCXWZBBWWUORU-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-7-3-1-2-6(4-7)8-5-9(14)13-10(8)11(15)16/h1-4,8,10H,5H2,(H,13,14)(H,15,16)/t8-,10+/m0/s1.
What are the key properties of (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid?
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 129366152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).