9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate

C24H26N2O6 — CID 163654745

IUPAC9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate
SMILESO=C1C[C@@H](C(=O)NCCOCCO)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H26N2O6/c27-10-12-31-11-9-25-23(29)22-13-16(28)14-26(22)24(30)32-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21-22,27H,9-15H2,(H,25,29)/t22-/m0/s1
InChIKeyIPFLUQMKNUEAHW-QFIPXVFZSA-N
MW438.48 g/mol
LogP1.70
Rot. Bonds8

About 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate (PubChem CID 163654745) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate
PubChem CID163654745
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate
SMILESO=C1C[C@@H](C(=O)NCCOCCO)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C24H26N2O6/c27-10-12-31-11-9-25-23(29)22-13-16(28)14-26(22)24(30)32-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21-22,27H,9-15H2,(H,25,29)/t22-/m0/s1
InChIKeyIPFLUQMKNUEAHW-QFIPXVFZSA-N
XLogP1.70
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate (CID 163654745) is 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate is O=C1C[C@@H](C(=O)NCCOCCO)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate?
The InChIKey is IPFLUQMKNUEAHW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N2O6/c27-10-12-31-11-9-25-23(29)22-13-16(28)14-26(22)24(30)32-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,21-22,27H,9-15H2,(H,25,29)/t22-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate has a molecular weight of 438.48 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S)-2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 163654745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).