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

C21H20N2O3 — CID 54543425

IUPACbenzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C(c1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H20N2O3/c24-20(17-13-22-18-10-5-4-9-16(17)18)19-11-6-12-23(19)21(25)26-14-15-7-2-1-3-8-15/h1-5,7-10,13,19,22H,6,11-12,14H2/t19-/m1/s1
InChIKeyZEVWXGZGUZQBMC-LJQANCHMSA-N
MW348.40 g/mol
LogP4.15
Rot. Bonds4

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

benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate (PubChem CID 54543425) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
PubChem CID54543425
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Namebenzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
SMILESO=C(c1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H20N2O3/c24-20(17-13-22-18-10-5-4-9-16(17)18)19-11-6-12-23(19)21(25)26-14-15-7-2-1-3-8-15/h1-5,7-10,13,19,22H,6,11-12,14H2/t19-/m1/s1
InChIKeyZEVWXGZGUZQBMC-LJQANCHMSA-N
XLogP4.15
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 166943797
(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 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate
CID 110643516
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
benzyl (2S)-2-(1H-indole-6-carbonyl)pyrrolidine-1-carboxylate
CID 21304756
(2R)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 25425835
(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 25425837
benzyl (2S)-2-(thiophene-2-carbonyl)pyrrolidine-1-carboxylate
CID 102413104
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
[amino-(1-phenylmethoxycarbonylpyrrolidin-2-yl)methylidene]azanium chloride
CID 135905283
benzyl (2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 667614

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate (CID 54543425) is benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate is O=C(c1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
The InChIKey is ZEVWXGZGUZQBMC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H20N2O3/c24-20(17-13-22-18-10-5-4-9-16(17)18)19-11-6-12-23(19)21(25)26-14-15-7-2-1-3-8-15/h1-5,7-10,13,19,22H,6,11-12,14H2/t19-/m1/s1.
What are the key properties of benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate?
benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 54543425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).