benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate

C20H21NO3 — CID 15399715

IUPACbenzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](O)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H21NO3/c22-19-13-14-21(18(19)12-11-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-12,18-19,22H,13-15H2/b12-11+/t18-,19-/m1/s1
InChIKeyOZYWDDJUCTVKFI-MCBHFWOFSA-N
MW323.39 g/mol
LogP3.47
Rot. Bonds4

About benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate

benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate (PubChem CID 15399715) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
PubChem CID15399715
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namebenzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CC[C@@H](O)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C20H21NO3/c22-19-13-14-21(18(19)12-11-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-12,18-19,22H,13-15H2/b12-11+/t18-,19-/m1/s1
InChIKeyOZYWDDJUCTVKFI-MCBHFWOFSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
dibenzyl (2S)-3-hydroxypyrrolidine-1,2-dicarboxylate;hydrochloride
CID 18346184
benzyl (2S,3S)-3-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 125117167
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
benzyl 2-formyl-3-(3-oxopropyl)pyrrolidine-1-carboxylate
CID 88581482
benzyl (1R,5S)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 129389012
benzyl 2-(2-amino-1-hydroxyethyl)azetidine-1-carboxylate
CID 115006762
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 102266655
benzyl (2R)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylate
CID 7102093
benzyl 3-hydroxy-2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 85341259

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate (CID 15399715) is benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate is O=C(OCc1ccccc1)N1CC[C@@H](O)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
The InChIKey is OZYWDDJUCTVKFI-MCBHFWOFSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19-13-14-21(18(19)12-11-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-12,18-19,22H,13-15H2/b12-11+/t18-,19-/m1/s1.
What are the key properties of benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate?
benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-3-hydroxy-2-[(E)-2-phenylethenyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15399715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).