9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate

C23H25NO4 — CID 176636794

IUPAC9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate
SMILESCCCO[C@@H]1C[C@@H](C=O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C23H25NO4/c1-2-11-27-17-12-16(14-25)24(13-17)23(26)28-15-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-10,14,16-17,22H,2,11-13,15H2,1H3/t16-,17+/m0/s1
InChIKeyZNBYAHQXUIXKKF-DLBZAZTESA-N
MW379.46 g/mol
LogP4.00
Rot. Bonds6

About 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate (PubChem CID 176636794) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate
PubChem CID176636794
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate
SMILESCCCO[C@@H]1C[C@@H](C=O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C23H25NO4/c1-2-11-27-17-12-16(14-25)24(13-17)23(26)28-15-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-10,14,16-17,22H,2,11-13,15H2,1H3/t16-,17+/m0/s1
InChIKeyZNBYAHQXUIXKKF-DLBZAZTESA-N
XLogP4.00
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-formyl-4-phenylmethoxypyrrolidine-1-carboxylate
CID 156500442
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
CID 6957980
(2S)-4-aminooxy-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 167431338
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]pyrrolidine-2-carboxylic acid
CID 134224493
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
butyl (2R,4S)-2-formyl-4-pyridin-2-yloxypyrrolidine-1-carboxylate
CID 175983996
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-carbonochloridoyloxypyrrolidine-1,2-dicarboxylate
CID 10906114

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate (CID 176636794) is 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate is CCCO[C@@H]1C[C@@H](C=O)N(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate?
The InChIKey is ZNBYAHQXUIXKKF-DLBZAZTESA-N. The full InChI is InChI=1S/C23H25NO4/c1-2-11-27-17-12-16(14-25)24(13-17)23(26)28-15-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-10,14,16-17,22H,2,11-13,15H2,1H3/t16-,17+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S,4R)-2-formyl-4-propoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 176636794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).