methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate

C20H23NO2 — CID 102263792

IUPACmethyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-20(22)18-13-8-14-21(18)19(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19?/m0/s1
InChIKeyRSDOLZBRUONABU-OYKVQYDMSA-N
MW309.41 g/mol
LogP3.61
Rot. Bonds5

About methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate

methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate (PubChem CID 102263792) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate
PubChem CID102263792
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namemethyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H23NO2/c1-23-20(22)18-13-8-14-21(18)19(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19?/m0/s1
InChIKeyRSDOLZBRUONABU-OYKVQYDMSA-N
XLogP3.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl (2S)-2-(dibenzylamino)-3-(4-methylphenyl)propanoate
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Ethyl 1-(4-biphenylylmethyl)-2-piperidinecarboxylate
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Methyl 2-(1-phenylethyl)-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
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3-Trityl-1,3-oxazolidin-5-one
CID 7107390
(S)-Methyl 1-benzyl-5-oxopyrrolidine-2-carboxylate
CID 10998904
L-Proline, 1-((4-fluorophenyl)methyl)-5-oxo-, methyl ester
CID 3042457
Methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
N-Benzyl-L-proline ethyl ester
CID 688177
Diethyl 1-benzylpyrrolidine-2,5-dicarboxylate
CID 286120

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate (CID 102263792) is methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate?
The InChIKey is RSDOLZBRUONABU-OYKVQYDMSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-20(22)18-13-8-14-21(18)19(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19?/m0/s1.
What are the key properties of methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate?
methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate has a molecular weight of 309.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(1,2-diphenylethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 102263792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).