(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide

C17H21N3O2 — CID 136582585

IUPAC(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CC(=O)N2CCC[C@@H]2C(N)=O)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-2-19-11-12(13-6-3-4-7-14(13)19)10-16(21)20-9-5-8-15(20)17(18)22/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H2,18,22)/t15-/m1/s1
InChIKeyBIDWFDIZEAJDGA-OAHLLOKOSA-N
MW299.37 g/mol
LogP1.68
Rot. Bonds4

About (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide

(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 136582585) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID136582585
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILESCCn1cc(CC(=O)N2CCC[C@@H]2C(N)=O)c2ccccc21
InChIInChI=1S/C17H21N3O2/c1-2-19-11-12(13-6-3-4-7-14(13)19)10-16(21)20-9-5-8-15(20)17(18)22/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H2,18,22)/t15-/m1/s1
InChIKeyBIDWFDIZEAJDGA-OAHLLOKOSA-N
XLogP1.68
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-[2-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 124606525
1-[(1-ethylindol-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056473
1-[2-(1-ethylindol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166514
2-[2-(2-carbamoylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 71692047
2-(1-ethylindol-3-yl)-1-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanone
CID 97060187
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
2-[2-(1-ethylindol-3-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxamide
CID 138036434
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-[2-(1-ethylindol-3-yl)acetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251532
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 175878208

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 136582585) is (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide is CCn1cc(CC(=O)N2CCC[C@@H]2C(N)=O)c2ccccc21.
What is the InChIKey of (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is BIDWFDIZEAJDGA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-19-11-12(13-6-3-4-7-14(13)19)10-16(21)20-9-5-8-15(20)17(18)22/h3-4,6-7,11,15H,2,5,8-10H2,1H3,(H2,18,22)/t15-/m1/s1.
What are the key properties of (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide?
(2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-ethylindol-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 136582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).