(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate

C21H20N2O4 — CID 22386155

IUPAC(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate
SMILESO=C(OC1CCCN1C(=O)OCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O4/c24-20(17-13-22-18-10-5-4-9-16(17)18)27-19-11-6-12-23(19)21(25)26-14-15-7-2-1-3-8-15/h1-5,7-10,13,19,22H,6,11-12,14H2
InChIKeyLTMVSHNCUBTUCG-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.08
Rot. Bonds4

About (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate

(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate (PubChem CID 22386155) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate
PubChem CID22386155
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate
SMILESO=C(OC1CCCN1C(=O)OCc1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H20N2O4/c24-20(17-13-22-18-10-5-4-9-16(17)18)27-19-11-6-12-23(19)21(25)26-14-15-7-2-1-3-8-15/h1-5,7-10,13,19,22H,6,11-12,14H2
InChIKeyLTMVSHNCUBTUCG-UHFFFAOYSA-N
XLogP4.08
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-(1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 54543425
benzyl 4-(1H-indole-3-carbonyl)piperidine-1-carboxylate
CID 110643516
1-O-benzyl 2-O-[2-(1H-indol-3-yl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 101244056
benzyl (2R)-2-(4-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylate
CID 166943797
ethyl 2-phenylmethoxyazepane-1-carboxylate
CID 141418493
(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 4-(1H-indol-3-ylmethyl)piperazine-1-carboxylate
CID 66853352
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
benzyl 2-(1,3-dihydroxypropyl)pyrrolidine-1-carboxylate
CID 68745520
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl (2S)-2-(1-bromoethyl)pyrrolidine-1-carboxylate
CID 67770305

Frequently Asked Questions

What is the IUPAC name of (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate?
The IUPAC name of (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate (CID 22386155) is (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate.
What is the SMILES notation for (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate?
The canonical SMILES for (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate is O=C(OC1CCCN1C(=O)OCc1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate?
The InChIKey is LTMVSHNCUBTUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c24-20(17-13-22-18-10-5-4-9-16(17)18)27-19-11-6-12-23(19)21(25)26-14-15-7-2-1-3-8-15/h1-5,7-10,13,19,22H,6,11-12,14H2.
What are the key properties of (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate?
(1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylmethoxycarbonylpyrrolidin-2-yl) 1H-indole-3-carboxylate is sourced from PubChem (CID 22386155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).