(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

C19H19NO4 — CID 102278836

IUPAC(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](c2ccccc2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H19NO4/c21-18(22)16-11-17(15-9-5-2-6-10-15)20(12-16)19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyQOVNUGDABYAIBV-SJORKVTESA-N
MW325.36 g/mol
LogP3.47
Rot. Bonds4

About (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid

(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 102278836) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID102278836
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](c2ccccc2)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H19NO4/c21-18(22)16-11-17(15-9-5-2-6-10-15)20(12-16)19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyQOVNUGDABYAIBV-SJORKVTESA-N
XLogP3.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
(3R,5S)-5-(methylamino)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 118495982
benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 140925152
(2S,3S,4R)-4-hydroxy-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294713
(3R,6R)-6-(difluoromethyl)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid;(3S,6S)-6-(difluoromethyl)-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 158469007
(3S,6R)-6-cyclobutyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 178194318
benzyl 3-amino-5-(hydroxymethyl)-2-phenylpiperidine-1-carboxylate
CID 54001762
1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
CID 18391513
(2S,4R)-2-(2-fluorophenyl)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 165141948
benzyl (2R,3S)-3-amino-2-methylazetidine-1-carboxylate
CID 170915415
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid (CID 102278836) is (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1C[C@@H](c2ccccc2)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is QOVNUGDABYAIBV-SJORKVTESA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(22)16-11-17(15-9-5-2-6-10-15)20(12-16)19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m1/s1.
What are the key properties of (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid?
(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 325.36 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 (3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102278836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).