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

C13H18ClN3O2 — CID 10708151

IUPAC[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
InChIInChI=1S/C13H17N3O2.ClH/c14-11(13(18)15-5-6-17)7-9-8-16-12-4-2-1-3-10(9)12;/h1-4,8,11,16-17H,5-7,14H2,(H,15,18);1H/t11-;/m0./s1
InChIKeyMQMYMGRFOCNQHF-MERQFXBCSA-N
MW283.76 g/mol
LogP-3.57
Rot. Bonds5

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

[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride (PubChem CID 10708151) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
PubChem CID10708151
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
SMILES[Cl-].[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO
InChIInChI=1S/C13H17N3O2.ClH/c14-11(13(18)15-5-6-17)7-9-8-16-12-4-2-1-3-10(9)12;/h1-4,8,11,16-17H,5-7,14H2,(H,15,18);1H/t11-;/m0./s1
InChIKeyMQMYMGRFOCNQHF-MERQFXBCSA-N
XLogP-3.57
TPSA92.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 5-3.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[2-(phenylmethoxycarbonylamino)ethylamino]propan-2-yl]azanium chloride
CID 10788093
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
2-[[2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetate
CID 7009664
[1-carboxy-2-(1H-indol-3-yl)ethyl]azanium
CID 5460842
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
2-amino-N-(5-hydroxypentyl)-3-(1H-indol-3-yl)propanamide
CID 107317776
2-chloro-N-[1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]benzamide
CID 78783619
tert-butyl (3S)-4-(2-hydroxyethylamino)-3-(1H-indol-3-ylmethyl)-4-oxobutanoate
CID 160543716
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
(2S)-2-amino-N-[12-[[(2R)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]dodecyl]-3-(1H-indol-3-yl)propanamide
CID 138706600
[(2R)-3-(1H-indol-3-yl)-1-[[(2R)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium
CID 7031913
(2R)-2-amino-N-(3-hydroxybutyl)-3-(1H-indol-3-yl)propanamide
CID 104910912

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride (CID 10708151) is [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride is [Cl-].[NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCO.
What is the InChIKey of [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
The InChIKey is MQMYMGRFOCNQHF-MERQFXBCSA-N. The full InChI is InChI=1S/C13H17N3O2.ClH/c14-11(13(18)15-5-6-17)7-9-8-16-12-4-2-1-3-10(9)12;/h1-4,8,11,16-17H,5-7,14H2,(H,15,18);1H/t11-;/m0./s1.
What are the key properties of [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride?
[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride has a molecular weight of 283.76 g/mol, XLogP of -3.57, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride is sourced from PubChem (CID 10708151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).