methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate

C19H20BrNO2 — CID 71119843

IUPACmethyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Br)cc2)C[C@H](c2ccccc2)CN1
InChIInChI=1S/C19H20BrNO2/c1-23-18(22)19(11-14-7-9-17(20)10-8-14)12-16(13-21-19)15-5-3-2-4-6-15/h2-10,16,21H,11-13H2,1H3/t16-,19?/m0/s1
InChIKeyJAJZDAXXHHTQAT-UCFFOFKASA-N
MW374.28 g/mol
LogP3.68
Rot. Bonds4

About methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate

methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate (PubChem CID 71119843) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate
PubChem CID71119843
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC Namemethyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1(Cc2ccc(Br)cc2)C[C@H](c2ccccc2)CN1
InChIInChI=1S/C19H20BrNO2/c1-23-18(22)19(11-14-7-9-17(20)10-8-14)12-16(13-21-19)15-5-3-2-4-6-15/h2-10,16,21H,11-13H2,1H3/t16-,19?/m0/s1
InChIKeyJAJZDAXXHHTQAT-UCFFOFKASA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4S)-2-methyl-4-phenylpyrrolidine-2-carboxylate
CID 86592479
methyl (2R,4R)-2,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
CID 15541932
methyl 1-[(4-bromophenyl)methyl]cyclobutane-1-carboxylate
CID 116929677
methyl 4-[(4-bromophenyl)methoxy]-2-methylpyrrolidine-2-carboxylate
CID 21301004
methyl 2-(4-bromophenyl)-1-fluoro-3-phenylcyclopropane-1-carboxylate
CID 118237237
ethyl 2-[(4-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 20786311
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390
4-O-[(2S)-1-methoxy-1-oxopropan-2-yl] 2-O-methyl (2S,4R,5S)-2-benzyl-5-phenylpyrrolidine-2,4-dicarboxylate
CID 101412379
methyl (2R)-1-bromo-2-phenylcyclopropane-1-carboxylate
CID 102133366
methyl 4-(4-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylate
CID 117270279
methyl (3S)-1-amino-3-(4-bromophenyl)cyclopentane-1-carboxylate
CID 69094601
[2-[(4-bromophenyl)methyl]pyrrolidin-2-yl]-cyclopropylmethanone
CID 69196257

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate (CID 71119843) is methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate is COC(=O)C1(Cc2ccc(Br)cc2)C[C@H](c2ccccc2)CN1.
What is the InChIKey of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
The InChIKey is JAJZDAXXHHTQAT-UCFFOFKASA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-23-18(22)19(11-14-7-9-17(20)10-8-14)12-16(13-21-19)15-5-3-2-4-6-15/h2-10,16,21H,11-13H2,1H3/t16-,19?/m0/s1.
What are the key properties of methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate?
methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate has a molecular weight of 374.28 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-[(4-bromophenyl)methyl]-4-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 71119843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).