(2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C19H19NO5 — CID 12941210

IUPAC(2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@](O)(c2ccccc2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-17(22)16-11-19(24,15-9-5-2-6-10-15)13-20(16)18(23)25-12-14-7-3-1-4-8-14/h1-10,16,24H,11-13H2,(H,21,22)/t16-,19-/m0/s1
InChIKeyUVQIINNUDGODDS-LPHOPBHVSA-N
MW341.36 g/mol
LogP2.37
Rot. Bonds4

About (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 12941210) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID12941210
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@](O)(c2ccccc2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-17(22)16-11-19(24,15-9-5-2-6-10-15)13-20(16)18(23)25-12-14-7-3-1-4-8-14/h1-10,16,24H,11-13H2,(H,21,22)/t16-,19-/m0/s1
InChIKeyUVQIINNUDGODDS-LPHOPBHVSA-N
XLogP2.37
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 12941210) is (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@](O)(c2ccccc2)CN1C(=O)OCc1ccccc1.
What is the InChIKey of (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is UVQIINNUDGODDS-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H19NO5/c21-17(22)16-11-19(24,15-9-5-2-6-10-15)13-20(16)18(23)25-12-14-7-3-1-4-8-14/h1-10,16,24H,11-13H2,(H,21,22)/t16-,19-/m0/s1.
What are the key properties of (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12941210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).