(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C12H12ClNO3 — CID 40516924

IUPAC(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C12H12ClNO3/c13-9-4-2-1-3-8(9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m1/s1
InChIKeyKSINVMMDBYSEMQ-SNVBAGLBSA-N
MW253.68 g/mol
LogP1.92
Rot. Bonds3

About (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 40516924) has the molecular formula C12H12ClNO3 and a molecular weight of 253.68 g/mol. Its IUPAC name is (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID40516924
Molecular FormulaC12H12ClNO3
Molecular Weight253.68 g/mol
Exact Mass253.05
IUPAC Name(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C12H12ClNO3/c13-9-4-2-1-3-8(9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m1/s1
InChIKeyKSINVMMDBYSEMQ-SNVBAGLBSA-N
XLogP1.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10823634
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
(2S)-1-[(2-nitrophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 11579813
(2R)-5-oxo-1-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 66645103
(2S)-1-[(2-chlorophenyl)methyl]-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 1477432
1-[2-(2-chloroanilino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874491
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 92696544

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 40516924) is (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is KSINVMMDBYSEMQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12ClNO3/c13-9-4-2-1-3-8(9)7-14-10(12(16)17)5-6-11(14)15/h1-4,10H,5-7H2,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 253.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 40516924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).