(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid

C21H23NO4 — CID 155775308

IUPAC(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(Cc1ccccc1)N1CCC[C@@]1(COCc1ccccc1)C(=O)O
InChIInChI=1S/C21H23NO4/c23-19(14-17-8-3-1-4-9-17)22-13-7-12-21(22,20(24)25)16-26-15-18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2,(H,24,25)/t21-/m1/s1
InChIKeyFSKKOTLAHDORSG-OAQYLSRUSA-N
MW353.42 g/mol
LogP2.89
Rot. Bonds7

About (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid (PubChem CID 155775308) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
PubChem CID155775308
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(Cc1ccccc1)N1CCC[C@@]1(COCc1ccccc1)C(=O)O
InChIInChI=1S/C21H23NO4/c23-19(14-17-8-3-1-4-9-17)22-13-7-12-21(22,20(24)25)16-26-15-18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2,(H,24,25)/t21-/m1/s1
InChIKeyFSKKOTLAHDORSG-OAQYLSRUSA-N
XLogP2.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-1-[2-(4-fluorophenyl)acetyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylate
CID 155775303
methyl (2R)-1-(2-phenylacetyl)-2-phenylmethoxypyrrolidine-2-carboxylate
CID 175092778
tert-butyl 2-(methylcarbamoyl)-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 123270754
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-[2-(3-methylphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977323
1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977237
1-[2-[2-(aminomethyl)phenyl]acetyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83058477
(2S)-2-benzyl-1-(3,3-dimethylbutoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 71391116
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid (CID 155775308) is (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid is O=C(Cc1ccccc1)N1CCC[C@@]1(COCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FSKKOTLAHDORSG-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H23NO4/c23-19(14-17-8-3-1-4-9-17)22-13-7-12-21(22,20(24)25)16-26-15-18-10-5-2-6-11-18/h1-6,8-11H,7,12-16H2,(H,24,25)/t21-/m1/s1.
What are the key properties of (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 353.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-phenylacetyl)-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 155775308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).