dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate

C21H23NO5 — CID 134919033

IUPACdimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@](C(=O)OC)(c2ccccc2)NC1c1ccccc1OC
InChIInChI=1S/C21H23NO5/c1-25-17-12-8-7-11-15(17)18-16(19(23)26-2)13-21(22-18,20(24)27-3)14-9-5-4-6-10-14/h4-12,16,18,22H,13H2,1-3H3/t16-,18?,21+/m0/s1
InChIKeyDHHMNHXGWDUKNB-QSCSDJCXSA-N
MW369.42 g/mol
LogP2.59
Rot. Bonds5

About dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate

dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate (PubChem CID 134919033) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate
PubChem CID134919033
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Namedimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@](C(=O)OC)(c2ccccc2)NC1c1ccccc1OC
InChIInChI=1S/C21H23NO5/c1-25-17-12-8-7-11-15(17)18-16(19(23)26-2)13-21(22-18,20(24)27-3)14-9-5-4-6-10-14/h4-12,16,18,22H,13H2,1-3H3/t16-,18?,21+/m0/s1
InChIKeyDHHMNHXGWDUKNB-QSCSDJCXSA-N
XLogP2.59
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate (CID 134919033) is dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate is COC(=O)[C@H]1C[C@](C(=O)OC)(c2ccccc2)NC1c1ccccc1OC.
What is the InChIKey of dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate?
The InChIKey is DHHMNHXGWDUKNB-QSCSDJCXSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-17-12-8-7-11-15(17)18-16(19(23)26-2)13-21(22-18,20(24)27-3)14-9-5-4-6-10-14/h4-12,16,18,22H,13H2,1-3H3/t16-,18?,21+/m0/s1.
What are the key properties of dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate?
dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4S)-5-(2-methoxyphenyl)-2-phenylpyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 134919033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).