methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate

C12H12ClNO3 — CID 42261094

IUPACmethyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO3/c1-17-12(16)10-6-7-11(15)14(10)9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyRCWHIQNBBHVUQB-SNVBAGLBSA-N
MW253.69 g/mol
LogP2.01
Rot. Bonds2

About methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate

methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 42261094) has the molecular formula C12H12ClNO3 and a molecular weight of 253.69 g/mol. Its IUPAC name is methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID42261094
Molecular FormulaC12H12ClNO3
Molecular Weight253.69 g/mol
Exact Mass253.05
IUPAC Namemethyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C12H12ClNO3/c1-17-12(16)10-6-7-11(15)14(10)9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1
InChIKeyRCWHIQNBBHVUQB-SNVBAGLBSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
methyl 3-(4-chlorophenyl)-2-oxo-1,3-oxazinane-4-carboxylate
CID 24976381
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110374015
1-(4-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110374043
1-(4-chlorophenyl)-N-(3-methylbutyl)-5-oxopyrrolidine-2-carboxamide
CID 110374046
(2S)-1-(4-chlorophenyl)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953374
N-(5-chloro-2-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373823
(2S)-1-(4-chlorophenyl)-N-[3-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-2-carboxamide
CID 67953379
(2S)-N-(3-tert-butyl-1,2-thiazol-5-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 67953375
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
(2S)-1-(4-chlorophenyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 46843809
(2S)-1-(4-chlorophenyl)-5-oxo-N-(3-propyl-1,2-oxazol-5-yl)pyrrolidine-2-carboxamide
CID 46844062

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate (CID 42261094) is methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@H]1CCC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is RCWHIQNBBHVUQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H12ClNO3/c1-17-12(16)10-6-7-11(15)14(10)9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate?
methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 253.69 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 42261094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).