[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate

C26H32N2O4 — CID 25157488

IUPAC[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCN1CCC[C@H]1C(=O)O[C@@H](c1ccccc1)[C@@H](OC(=O)[C@@H]1CCCN1C)c1ccccc1
InChIInChI=1S/C26H32N2O4/c1-27-17-9-15-21(27)25(29)31-23(19-11-5-3-6-12-19)24(20-13-7-4-8-14-20)32-26(30)22-16-10-18-28(22)2/h3-8,11-14,21-24H,9-10,15-18H2,1-2H3/t21-,22-,23-,24-/m0/s1
InChIKeyGVVLVOCSKCQYFG-ZJZGAYNASA-N
MW436.55 g/mol
LogP3.74
Rot. Bonds7

About [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate

[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate (PubChem CID 25157488) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate
PubChem CID25157488
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate
SMILESCN1CCC[C@H]1C(=O)O[C@@H](c1ccccc1)[C@@H](OC(=O)[C@@H]1CCCN1C)c1ccccc1
InChIInChI=1S/C26H32N2O4/c1-27-17-9-15-21(27)25(29)31-23(19-11-5-3-6-12-19)24(20-13-7-4-8-14-20)32-26(30)22-16-10-18-28(22)2/h3-8,11-14,21-24H,9-10,15-18H2,1-2H3/t21-,22-,23-,24-/m0/s1
InChIKeyGVVLVOCSKCQYFG-ZJZGAYNASA-N
XLogP3.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate with MolForge

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Related Compounds

phenyl 1-methylpyrrolidine-2-carboxylate
CID 57101862
1-pyridin-3-ylethyl 1-methylpiperidine-2-carboxylate
CID 75468083
(2S)-1-methyl-N-[(1R)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 12739440
1-(1-methylpyrrolidin-2-yl)-2-phenylethanone
CID 129033929
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
ethane;methyl 1-methyl-2-phenylpiperidine-3-carboxylate
CID 91342907
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
2-O-[(1S,3S)-3-[(2S)-1-ethoxycarbonylpyrrolidine-2-carbonyl]oxy-2,2-dimethyl-1,3-diphenylpropyl] 1-O-ethyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 134880382
2-benzhydryl-1-methylpyrrolidine
CID 71178925

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate (CID 25157488) is [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate is CN1CCC[C@H]1C(=O)O[C@@H](c1ccccc1)[C@@H](OC(=O)[C@@H]1CCCN1C)c1ccccc1.
What is the InChIKey of [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is GVVLVOCSKCQYFG-ZJZGAYNASA-N. The full InChI is InChI=1S/C26H32N2O4/c1-27-17-9-15-21(27)25(29)31-23(19-11-5-3-6-12-19)24(20-13-7-4-8-14-20)32-26(30)22-16-10-18-28(22)2/h3-8,11-14,21-24H,9-10,15-18H2,1-2H3/t21-,22-,23-,24-/m0/s1.
What are the key properties of [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate?
[(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 436.55 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[(2S)-1-methylpyrrolidine-2-carbonyl]oxy-1,2-diphenylethyl] (2S)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 25157488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).