tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate

C24H30FNO2 — CID 134297925

IUPACtert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@H](C(c1ccccc1)c1ccccc1F)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H30FNO2/c1-17(21-15-10-16-26(21)23(27)28-24(2,3)4)22(18-11-6-5-7-12-18)19-13-8-9-14-20(19)25/h5-9,11-14,17,21-22H,10,15-16H2,1-4H3/t17-,21+,22?/m0/s1
InChIKeySRDHHUJTBDBGAZ-NUEVNEFVSA-N
MW383.51 g/mol
LogP5.99
Rot. Bonds4

About tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 134297925) has the molecular formula C24H30FNO2 and a molecular weight of 383.51 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate
PubChem CID134297925
Molecular FormulaC24H30FNO2
Molecular Weight383.51 g/mol
Exact Mass383.23
IUPAC Nametert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate
SMILESC[C@H](C(c1ccccc1)c1ccccc1F)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H30FNO2/c1-17(21-15-10-16-26(21)23(27)28-24(2,3)4)22(18-11-6-5-7-12-18)19-13-8-9-14-20(19)25/h5-9,11-14,17,21-22H,10,15-16H2,1-4H3/t17-,21+,22?/m0/s1
InChIKeySRDHHUJTBDBGAZ-NUEVNEFVSA-N
XLogP5.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.51
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate (CID 134297925) is tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate is C[C@H](C(c1ccccc1)c1ccccc1F)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is SRDHHUJTBDBGAZ-NUEVNEFVSA-N. The full InChI is InChI=1S/C24H30FNO2/c1-17(21-15-10-16-26(21)23(27)28-24(2,3)4)22(18-11-6-5-7-12-18)19-13-8-9-14-20(19)25/h5-9,11-14,17,21-22H,10,15-16H2,1-4H3/t17-,21+,22?/m0/s1.
What are the key properties of tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 383.51 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1R,2R)-1-(2-fluorophenyl)-1-phenylpropan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 134297925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).