methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate

C21H23NO4 — CID 175092778

IUPACmethyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(OCc2ccccc2)CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H23NO4/c1-25-20(24)21(26-16-18-11-6-3-7-12-18)13-8-14-22(21)19(23)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3/t21-/m1/s1
InChIKeySOQQHGOLNWKCAC-OAQYLSRUSA-N
MW353.42 g/mol
LogP2.94
Rot. Bonds6

About methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate

methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate (PubChem CID 175092778) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate
PubChem CID175092778
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Namemethyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(OCc2ccccc2)CCCN1C(=O)Cc1ccccc1
InChIInChI=1S/C21H23NO4/c1-25-20(24)21(26-16-18-11-6-3-7-12-18)13-8-14-22(21)19(23)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3/t21-/m1/s1
InChIKeySOQQHGOLNWKCAC-OAQYLSRUSA-N
XLogP2.94
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
CID 155775303
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
CID 155775308
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
methyl (2S)-2-ethyl-1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 67272370
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate
CID 139654801
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 78838423
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-O-benzyl 2-O-methyl (2R)-2-[(E)-4-methoxy-4-oxobut-2-enyl]pyrrolidine-1,2-dicarboxylate
CID 134969660

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate (CID 175092778) is methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate is COC(=O)[C@]1(OCc2ccccc2)CCCN1C(=O)Cc1ccccc1.
What is the InChIKey of methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate?
The InChIKey is SOQQHGOLNWKCAC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO4/c1-25-20(24)21(26-16-18-11-6-3-7-12-18)13-8-14-22(21)19(23)15-17-9-4-2-5-10-17/h2-7,9-12H,8,13-16H2,1H3/t21-/m1/s1.
What are the key properties of methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate?
methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 175092778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).