methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate

C12H12ClNO3 — CID 758329

IUPACmethyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClNO3/c1-17-12(16)8-6-11(15)14(7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1
InChIKeyBLHLROXXSQXSHY-MRVPVSSYSA-N
MW253.69 g/mol
LogP1.87
Rot. Bonds2

About methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate

methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 758329) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID758329
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Namemethyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H12ClNO3/c1-17-12(16)8-6-11(15)14(7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1
InChIKeyBLHLROXXSQXSHY-MRVPVSSYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate 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

methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3R)-1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 1272534
methyl 1-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 5165669
methyl 1-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 9391181
(4-methoxyphenyl) (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 7220496
methyl 5-oxo-1-pyridin-4-ylpyrrolidine-3-carboxylate
CID 168695333
methyl 1-[4-(methylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693266
2-chloro-5-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168694649
methyl 1-[4-(2-methoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168693290
methyl 1-(4-carbamothioylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 134112418
methyl 5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxylate
CID 10084873
methyl 1-(4-bromo-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 168694777

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (CID 758329) is methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is BLHLROXXSQXSHY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-17-12(16)8-6-11(15)14(7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 758329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).