(2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C12H12ClNO3 — CID 6485997

IUPAC(2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C12H12ClNO3/c1-14-10(15)6-8(12(16)17)11(14)7-4-2-3-5-9(7)13/h2-5,8,11H,6H2,1H3,(H,16,17)/t8-,11+/m1/s1
InChIKeyVYFFONCYPVDQLZ-KCJUWKMLSA-N
MW253.68 g/mol
LogP1.94
Rot. Bonds2

About (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

(2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 6485997) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID6485997
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name(2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccccc1Cl
InChIInChI=1S/C12H12ClNO3/c1-14-10(15)6-8(12(16)17)11(14)7-4-2-3-5-9(7)13/h2-5,8,11H,6H2,1H3,(H,16,17)/t8-,11+/m1/s1
InChIKeyVYFFONCYPVDQLZ-KCJUWKMLSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid
CID 616196
1-Cyclohexyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 3745249
3-(4-Chlorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 3240976
1-(4-Chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2739200
(3R)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 723633
(3R)-5-oxo-1-((1R)-1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 723634
1-Ethyl-2-(3-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 17389686
2-(4-Chloro-3-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 64065321
(3S)-5-oxo-1-((1R)-1-phenylethyl)pyrrolidine-3-carboxylic acid
CID 723632
3-(4-Chlorophenyl)-3-acetamidopropanoic acid
CID 17525403
(3S*,4S*)-1-[(2-chlorophenyl)acetyl]-4-cyclopropyl-3-pyrrolidinecarboxylic acid
CID 72857440
1-(4-Chlorophenethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2779686

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 6485997) is (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is CN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is VYFFONCYPVDQLZ-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-14-10(15)6-8(12(16)17)11(14)7-4-2-3-5-9(7)13/h2-5,8,11H,6H2,1H3,(H,16,17)/t8-,11+/m1/s1.
What are the key properties of (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
(2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 253.68 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 6485997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).