1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone

C22H30N4O2 — CID 142674551

IUPAC1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CCc1cc2ccccc2[nH]1
InChIInChI=1S/C22H30N4O2/c1-23-15-21(27)26-13-5-9-20(26)22(28)25-12-4-7-18(25)11-10-17-14-16-6-2-3-8-19(16)24-17/h2-3,6,8,14,18,20,23-24H,4-5,7,9-13,15H2,1H3/t18-,20+/m0/s1
InChIKeyTYSIHKLNCRLDGL-AZUAARDMSA-N
MW382.51 g/mol
LogP2.30
Rot. Bonds6

About 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone

1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 142674551) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID142674551
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CCc1cc2ccccc2[nH]1
InChIInChI=1S/C22H30N4O2/c1-23-15-21(27)26-13-5-9-20(26)22(28)25-12-4-7-18(25)11-10-17-14-16-6-2-3-8-19(16)24-17/h2-3,6,8,14,18,20,23-24H,4-5,7,9-13,15H2,1H3/t18-,20+/m0/s1
InChIKeyTYSIHKLNCRLDGL-AZUAARDMSA-N
XLogP2.30
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
CID 119650109
ethyl 2-[(2R)-2-[(2S)-2-[2-[6-(3-amino-3-iminopropyl)-1H-indol-2-yl]ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetate
CID 70091531
2-(methylamino)-1-[2-(3-phenylpropyl)piperidin-1-yl]ethanone
CID 120705338
2-[2-[(2S)-1-[2-(benzenesulfonyl)acetyl]pyrrolidin-2-yl]ethyl]-N'-methyl-1H-indole-6-carboximidamide
CID 70111807
(2R)-1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372066
2-(hydroxymethyl)-N-(1H-indol-2-ylmethyl)piperidine-1-carboxamide
CID 119073104
3-[2-oxo-2-[(2S)-2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethyl]-1H-quinolin-2-one
CID 166270647
N-(1H-indol-2-ylmethyl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60605560
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
1-[2-(difluoromethoxy)benzoyl]-N-[2-(1H-indol-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 138999726
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201
2,3-dihydro-1H-inden-2-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 106893430

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone (CID 142674551) is 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1CCc1cc2ccccc2[nH]1.
What is the InChIKey of 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is TYSIHKLNCRLDGL-AZUAARDMSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-23-15-21(27)26-13-5-9-20(26)22(28)25-12-4-7-18(25)11-10-17-14-16-6-2-3-8-19(16)24-17/h2-3,6,8,14,18,20,23-24H,4-5,7,9-13,15H2,1H3/t18-,20+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 382.51 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-2-[2-(1H-indol-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 142674551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).