9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate

C39H33NO3 — CID 175704806

IUPAC9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H]1C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H33NO3/c41-37(39(28-15-4-1-5-16-28,29-17-6-2-7-18-29)30-19-8-3-9-20-30)36-25-14-26-40(36)38(42)43-27-35-33-23-12-10-21-31(33)32-22-11-13-24-34(32)35/h1-13,15-24,35-36H,14,25-27H2/t36-/m0/s1
InChIKeyFXQWIMQOOHFLBD-BHVANESWSA-N
MW563.70 g/mol
LogP8.00
Rot. Bonds7

About 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate (PubChem CID 175704806) has the molecular formula C39H33NO3 and a molecular weight of 563.70 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
PubChem CID175704806
Molecular FormulaC39H33NO3
Molecular Weight563.70 g/mol
Exact Mass563.25
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H]1C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H33NO3/c41-37(39(28-15-4-1-5-16-28,29-17-6-2-7-18-29)30-19-8-3-9-20-30)36-25-14-26-40(36)38(42)43-27-35-33-23-12-10-21-31(33)32-22-11-13-24-34(32)35/h1-13,15-24,35-36H,14,25-27H2/t36-/m0/s1
InChIKeyFXQWIMQOOHFLBD-BHVANESWSA-N
XLogP8.00
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
4-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxymethyl]benzoic acid
CID 10254180
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
ethane;2-[[1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]amino]benzoic acid
CID 90762068
2-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxy-3-phenylpropanoic acid
CID 174237370
9H-fluoren-9-ylmethyl (2S)-2-[[2-(methylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59454334
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride
CID 174709081
9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate
CID 140685279

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate (CID 175704806) is 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC[C@H]1C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate?
The InChIKey is FXQWIMQOOHFLBD-BHVANESWSA-N. The full InChI is InChI=1S/C39H33NO3/c41-37(39(28-15-4-1-5-16-28,29-17-6-2-7-18-29)30-19-8-3-9-20-30)36-25-14-26-40(36)38(42)43-27-35-33-23-12-10-21-31(33)32-22-11-13-24-34(32)35/h1-13,15-24,35-36H,14,25-27H2/t36-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate has a molecular weight of 563.70 g/mol, XLogP of 8.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175704806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).