benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate

C21H19FN2O3 — CID 166943797

IUPACbenzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C(c1c[nH]c2cccc(F)c12)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H19FN2O3/c22-16-8-4-9-17-19(16)15(12-23-17)20(25)18-10-5-11-24(18)21(26)27-13-14-6-2-1-3-7-14/h1-4,6-9,12,18,23H,5,10-11,13H2/t18-/m1/s1
InChIKeyBTYUGUNWINOHPT-GOSISDBHSA-N
MW366.39 g/mol
LogP4.29
Rot. Bonds4

About benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate

benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 166943797) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
PubChem CID166943797
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Namebenzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C(c1c[nH]c2cccc(F)c12)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H19FN2O3/c22-16-8-4-9-17-19(16)15(12-23-17)20(25)18-10-5-11-24(18)21(26)27-13-14-6-2-1-3-7-14/h1-4,6-9,12,18,23H,5,10-11,13H2/t18-/m1/s1
InChIKeyBTYUGUNWINOHPT-GOSISDBHSA-N
XLogP4.29
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl (2S)-2-(1H-indole-6-carbonyl)pyrrolidine-1-carboxylate
CID 21304756
(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate
CID 22386155
1-O-benzyl 2-O-[2-(1H-indol-3-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 101244056
benzyl (2S)-2-(thiophene-2-carbonyl)pyrrolidine-1-carboxylate
CID 102413104
benzyl (2S)-2-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126004824
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
1-O-benzyl 2-O-[[6-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]oxymethyl]-2-pyridinyl]methyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 10603664
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614
7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
CID 82792286

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate (CID 166943797) is benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate is O=C(c1c[nH]c2cccc(F)c12)[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is BTYUGUNWINOHPT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19FN2O3/c22-16-8-4-9-17-19(16)15(12-23-17)20(25)18-10-5-11-24(18)21(26)27-13-14-6-2-1-3-7-14/h1-4,6-9,12,18,23H,5,10-11,13H2/t18-/m1/s1.
What are the key properties of benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 366.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 166943797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).