prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate

C21H21NO4 — CID 67987687

IUPACprop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
SMILESC=C(C)OC(=O)N1C(=O)C(O)C[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO4/c1-14(2)26-21(25)22-18(13-19(23)20(22)24)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18-19,23H,1,12-13H2,2H3/t18-,19?/m1/s1
InChIKeyGAGQQILVNVIJLC-MRTLOADZSA-N
MW351.40 g/mol
LogP3.53
Rot. Bonds4

About prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate

prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate (PubChem CID 67987687) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
PubChem CID67987687
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Nameprop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate
SMILESC=C(C)OC(=O)N1C(=O)C(O)C[C@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO4/c1-14(2)26-21(25)22-18(13-19(23)20(22)24)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18-19,23H,1,12-13H2,2H3/t18-,19?/m1/s1
InChIKeyGAGQQILVNVIJLC-MRTLOADZSA-N
XLogP3.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate (CID 67987687) is prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate is C=C(C)OC(=O)N1C(=O)C(O)C[C@H]1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is GAGQQILVNVIJLC-MRTLOADZSA-N. The full InChI is InChI=1S/C21H21NO4/c1-14(2)26-21(25)22-18(13-19(23)20(22)24)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,18-19,23H,1,12-13H2,2H3/t18-,19?/m1/s1.
What are the key properties of prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate?
prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl (5R)-3-hydroxy-2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 67987687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).