ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

C26H23NO3 — CID 10927413

IUPACethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO3/c1-2-30-25(29)24-16-19(28)17-27(24)26(18-10-4-3-5-11-18)22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-15,24H,2,16-17H2,1H3/t24-/m0/s1
InChIKeyHZMMXWLJNCWMIC-DEOSSOPVSA-N
MW397.47 g/mol
LogP4.17
Rot. Bonds4

About ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (PubChem CID 10927413) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
PubChem CID10927413
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Nameethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1CC(=O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H23NO3/c1-2-30-25(29)24-16-19(28)17-27(24)26(18-10-4-3-5-11-18)22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-15,24H,2,16-17H2,1H3/t24-/m0/s1
InChIKeyHZMMXWLJNCWMIC-DEOSSOPVSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 11811064
benzyl (2S,3S,4S)-3-(2-ethoxy-2-oxoethyl)-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 71479639
benzyl (2S,3S,4R)-3-(2-ethoxy-2-oxoethyl)-4-hydroxy-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 71479640
methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 21341463
methyl (4S)-5-(9-phenylfluoren-9-yl)-4,6-dihydro-1H-pyrrolo[2,3-c]pyrrole-4-carboxylate
CID 11407105
tert-butyl 1-(9-phenylfluoren-9-yl)-3-prop-2-enylazetidine-2-carboxylate
CID 139490263
ethyl (3S,9bR)-9b-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate
CID 7084654
ethyl 4-oxo-1-phenyl-2,3-dihydropyridine-2-carboxylate
CID 58819942
[(3S,5S)-4,4-dimethyl-1-(9-phenylfluoren-9-yl)-5-phenylmethoxycarbonylpyrrolidin-3-yl]oxymethanedithioic acid
CID 10603041
(2S)-N-methoxy-N-methyl-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxamide
CID 102365765
(2R,3S,4R)-2-(hydroxymethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-3,4-diol
CID 10948738
methyl (2S,3S)-3-[(R)-(2-bromophenyl)-hydroxymethyl]-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10650664

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (CID 10927413) is ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1CC(=O)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The InChIKey is HZMMXWLJNCWMIC-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H23NO3/c1-2-30-25(29)24-16-19(28)17-27(24)26(18-10-4-3-5-11-18)22-14-8-6-12-20(22)21-13-7-9-15-23(21)26/h3-15,24H,2,16-17H2,1H3/t24-/m0/s1.
What are the key properties of ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate has a molecular weight of 397.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-oxo-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 10927413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).