(2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid

C19H19NO5 — CID 153080578

IUPAC(2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESO=C(ON1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-18(22)17-11-16(24-13-14-7-3-1-4-8-14)12-20(17)25-19(23)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyVNEORDKGJALSCU-DLBZAZTESA-N
MW341.36 g/mol
LogP2.50
Rot. Bonds6

About (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid

(2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid (PubChem CID 153080578) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid
PubChem CID153080578
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESO=C(ON1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)O)c1ccccc1
InChIInChI=1S/C19H19NO5/c21-18(22)17-11-16(24-13-14-7-3-1-4-8-14)12-20(17)25-19(23)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyVNEORDKGJALSCU-DLBZAZTESA-N
XLogP2.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid (CID 153080578) is (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid is O=C(ON1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)O)c1ccccc1.
What is the InChIKey of (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid?
The InChIKey is VNEORDKGJALSCU-DLBZAZTESA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(22)17-11-16(24-13-14-7-3-1-4-8-14)12-20(17)25-19(23)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid?
(2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-benzoyloxy-4-phenylmethoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 153080578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).