methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate

C19H18ClNO3 — CID 10545352

IUPACmethyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO3/c1-24-19(23)16-11-12-17(22)21(16)18(13-5-3-2-4-6-13)14-7-9-15(20)10-8-14/h2-10,16,18H,11-12H2,1H3/t16-,18?/m0/s1
InChIKeyGLGYUXSQTHFARE-ATNAJCNCSA-N
MW343.81 g/mol
LogP3.59
Rot. Bonds4

About methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate

methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 10545352) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID10545352
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Namemethyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCC(=O)N1C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO3/c1-24-19(23)16-11-12-17(22)21(16)18(13-5-3-2-4-6-13)14-7-9-15(20)10-8-14/h2-10,16,18H,11-12H2,1H3/t16-,18?/m0/s1
InChIKeyGLGYUXSQTHFARE-ATNAJCNCSA-N
XLogP3.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 3243387
L-Proline, 1-((4-chlorophenyl)methyl)-5-oxo-
CID 3042462
Methyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 4406324
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
L-Proline, 1-((4-chlorophenyl)methyl)-5-oxo-, methyl ester
CID 3042458
(S)-1-((R)-1-Phenyl-ethylcarbamoyl)-pyrrolidine-2-carboxylic acid 3-(4-chloro-phenyl)-propyl ester
CID 44280567
(R)-1-(2-chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
(R)-1-(4-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
CID 40582645
L-Proline, 1-((3,4-dichlorophenyl)methyl)-5-oxo-, methyl ester
CID 3042459
L-Proline, 1-((2,6-dichlorophenyl)methyl)-5-oxo-, methyl ester
CID 3042460
L-Proline, 1-((2,4-dichlorophenyl)methyl)-5-oxo-
CID 3042464
l-proline, 1-((4-chlorophenyl)methyl)-5-oxo-, ammonium salt
CID 3042466

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate (CID 10545352) is methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCC(=O)N1C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is GLGYUXSQTHFARE-ATNAJCNCSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-24-19(23)16-11-12-17(22)21(16)18(13-5-3-2-4-6-13)14-7-9-15(20)10-8-14/h2-10,16,18H,11-12H2,1H3/t16-,18?/m0/s1.
What are the key properties of methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate?
methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 343.81 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(4-chlorophenyl)-phenylmethyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 10545352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).