9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate

C21H23NO3 — CID 76652146

IUPAC9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
SMILESCCC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1O
InChIInChI=1S/C21H23NO3/c1-2-14-11-22(12-20(14)23)21(24)25-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20,23H,2,11-13H2,1H3
InChIKeyBKZORWJNGKDEDW-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.64
Rot. Bonds3

About 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 76652146) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
PubChem CID76652146
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
SMILESCCC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1O
InChIInChI=1S/C21H23NO3/c1-2-14-11-22(12-20(14)23)21(24)25-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20,23H,2,11-13H2,1H3
InChIKeyBKZORWJNGKDEDW-UHFFFAOYSA-N
XLogP3.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl (3R,4S)-3-hydroxy-4-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 178195231
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate
CID 91266462
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
CID 106837102
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 167724986
(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 75525905
9H-fluoren-9-ylmethyl 3-hydroxy-4-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 101453680
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
(3S,4R)-4-azaniumyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylate
CID 26596954

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate (CID 76652146) is 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate is CCC1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1O.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is BKZORWJNGKDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-2-14-11-22(12-20(14)23)21(24)25-13-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20,23H,2,11-13H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 76652146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).