methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate

C18H19NO3 — CID 139186710

IUPACmethyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(O)[C@@H](c2ccccc2)NC[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-17(20)18(21)15(13-8-4-2-5-9-13)12-19-16(18)14-10-6-3-7-11-14/h2-11,15-16,19,21H,12H2,1H3/t15-,16+,18-/m0/s1
InChIKeyOVPFSLBJCZOTPA-JZXOWHBKSA-N
MW297.35 g/mol
LogP2.02
Rot. Bonds3

About methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate

methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate (PubChem CID 139186710) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate
PubChem CID139186710
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate
SMILESCOC(=O)[C@@]1(O)[C@@H](c2ccccc2)NC[C@H]1c1ccccc1
InChIInChI=1S/C18H19NO3/c1-22-17(20)18(21)15(13-8-4-2-5-9-13)12-19-16(18)14-10-6-3-7-11-14/h2-11,15-16,19,21H,12H2,1H3/t15-,16+,18-/m0/s1
InChIKeyOVPFSLBJCZOTPA-JZXOWHBKSA-N
XLogP2.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2R,3S)-3-(benzylamino)-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 12174481
ethyl (2R,3R)-3-(benzylamino)-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 101428408
ethyl (2R,3S,4R)-3-fluoro-2,4-diphenylpyrrolidine-3-carboxylate
CID 134941635
Methyl 3-hydroxy-6a-methyl-2-phenyloctahydrocyclopenta[b]pyrrole-3-carboxylate
CID 394451
(2R,3S)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 22870435
methyl (2R,3S)-3-(2-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoate
CID 53681935
methyl (2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoate
CID 53882501
(2R,3S)-3-(2-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoic acid
CID 54470301
(2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-(1-phenylethylamino)propanoic acid
CID 67583735
(2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-[[(1S)-1-phenylethyl]amino]propanoic acid
CID 67704784
(2R,3S)-3-(ethylamino)-3-(4-fluorophenyl)-2-hydroxy-3-phenylpropanoic acid
CID 67704785
(2R,3S)-3-(4-fluorophenyl)-2-hydroxy-3-(2-phenylethylamino)propanoic acid
CID 67704791

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate?
The IUPAC name of methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate (CID 139186710) is methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate is COC(=O)[C@@]1(O)[C@@H](c2ccccc2)NC[C@H]1c1ccccc1.
What is the InChIKey of methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate?
The InChIKey is OVPFSLBJCZOTPA-JZXOWHBKSA-N. The full InChI is InChI=1S/C18H19NO3/c1-22-17(20)18(21)15(13-8-4-2-5-9-13)12-19-16(18)14-10-6-3-7-11-14/h2-11,15-16,19,21H,12H2,1H3/t15-,16+,18-/m0/s1.
What are the key properties of methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate?
methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-3-hydroxy-2,4-diphenylpyrrolidine-3-carboxylate is sourced from PubChem (CID 139186710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).