2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one

C16H21N3O2 — CID 106774384

IUPAC2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11-10-21-7-6-19(11)16(20)14(17)8-12-9-18-15-5-3-2-4-13(12)15/h2-5,9,11,14,18H,6-8,10,17H2,1H3/t11-,14?/m1/s1
InChIKeyWLXCILMFDOCGAB-YNODCEANSA-N
MW287.36 g/mol
LogP1.28
Rot. Bonds3

About 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one

2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one (PubChem CID 106774384) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
PubChem CID106774384
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-11-10-21-7-6-19(11)16(20)14(17)8-12-9-18-15-5-3-2-4-13(12)15/h2-5,9,11,14,18H,6-8,10,17H2,1H3/t11-,14?/m1/s1
InChIKeyWLXCILMFDOCGAB-YNODCEANSA-N
XLogP1.28
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one;dihydrochloride
CID 119958095
2-amino-1-(2,4-dimethylpyrrolidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 114350949
(2S)-2-amino-3-(1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 22691497
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
CID 175493504
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 69042546
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
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(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-1-(4-ethylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119956827
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one;hydrochloride
CID 119957331
(2S)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 107217230

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one (CID 106774384) is 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one is C[C@@H]1COCCN1C(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The InChIKey is WLXCILMFDOCGAB-YNODCEANSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-10-21-7-6-19(11)16(20)14(17)8-12-9-18-15-5-3-2-4-13(12)15/h2-5,9,11,14,18H,6-8,10,17H2,1H3/t11-,14?/m1/s1.
What are the key properties of 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one has a molecular weight of 287.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 106774384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).