(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C19H19NO4 — CID 102266655

IUPAC(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO4/c21-18(22)17-16(15-9-5-2-6-10-15)11-12-20(17)19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyHSNHBPCMOIMHAZ-SJORKVTESA-N
MW325.36 g/mol
LogP3.27
Rot. Bonds4

About (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 102266655) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID102266655
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO4/c21-18(22)17-16(15-9-5-2-6-10-15)11-12-20(17)19(23)24-13-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m1/s1
InChIKeyHSNHBPCMOIMHAZ-SJORKVTESA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
dibenzyl (2S)-3-hydroxypyrrolidine-1,2-dicarboxylate;hydrochloride
CID 18346184
(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 58051374
3-methyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 66624873
(2R,3S,4S)-3-(carboxymethyl)-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 101230694
(2S,3S,4R)-4-hydroxy-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294713
tribenzyl (2S,3R)-pyrrolidine-1,2,3-tricarboxylate
CID 10648165
benzyl (2S,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 59730574
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylpyrrolidine-2-carboxylic acid
CID 4712514
benzyl (2R,3R)-3-amino-2-phenylpyrrolidine-1-carboxylate
CID 56926800
benzyl (1R,5S)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 129389012
benzyl (2S,4R)-4-fluoro-2-phenylpiperidine-1-carboxylate
CID 140925152

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 102266655) is (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is HSNHBPCMOIMHAZ-SJORKVTESA-N. The full InChI is InChI=1S/C19H19NO4/c21-18(22)17-16(15-9-5-2-6-10-15)11-12-20(17)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 (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 325.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102266655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).