[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride

C13H18ClN3O — CID 10516015

IUPAC[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
SMILESCN(C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C13H17N3O.ClH/c1-16(2)13(17)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,7,14H2,1-2H3;1H/t11-;/m0./s1
InChIKeyBKJLKCAFTDTCHV-MERQFXBCSA-N
MW267.76 g/mol
LogP-2.59
Rot. Bonds3

About [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride

[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride (PubChem CID 10516015) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
PubChem CID10516015
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
SMILESCN(C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12.[Cl-]
InChIInChI=1S/C13H17N3O.ClH/c1-16(2)13(17)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,7,14H2,1-2H3;1H/t11-;/m0./s1
InChIKeyBKJLKCAFTDTCHV-MERQFXBCSA-N
XLogP-2.59
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 5-2.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-2-methoxy-N,N-dimethylpropanamide
CID 163055572
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10708151
[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
CID 10980445
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
(2S)-2-hydroxy-3-(1H-indol-3-yl)-N-methoxy-N-methylpropanamide
CID 16719604
(2R)-2-[ethyl(methyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 175558503
(2S)-2-(1H-indol-3-ylmethyl)butanamide
CID 155450153
(2S)-2-amino-3-(1H-indol-3-yl)-N,N-di(propan-2-yl)propanamide
CID 59904522
[(2R)-3-(1H-indol-3-yl)-1-oxo-1-prop-2-enoxypropan-2-yl]azanium
CID 7006688
(2R)-2-amino-N-(2-hydroxyethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 104910812

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride (CID 10516015) is [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride is CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12.[Cl-].
What is the InChIKey of [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
The InChIKey is BKJLKCAFTDTCHV-MERQFXBCSA-N. The full InChI is InChI=1S/C13H17N3O.ClH/c1-16(2)13(17)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,7,14H2,1-2H3;1H/t11-;/m0./s1.
What are the key properties of [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride has a molecular weight of 267.76 g/mol, XLogP of -2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride is sourced from PubChem (CID 10516015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).