[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium

C13H19N2O+ — CID 7308487

IUPAC[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@@H](O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2O/c1-9(2)14-8-13(16)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,13-16H,8H2,1-2H3/p+1/t13-/m1/s1
InChIKeyQYGJBFKZJZURRL-CYBMUJFWSA-O
MW219.31 g/mol
LogP1.17
Rot. Bonds4

About [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium

[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium (PubChem CID 7308487) has the molecular formula C13H19N2O+ and a molecular weight of 219.31 g/mol. Its IUPAC name is [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium
PubChem CID7308487
Molecular FormulaC13H19N2O+
Molecular Weight219.31 g/mol
Exact Mass219.15
IUPAC Name[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@@H](O)c1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2O/c1-9(2)14-8-13(16)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,13-16H,8H2,1-2H3/p+1/t13-/m1/s1
InChIKeyQYGJBFKZJZURRL-CYBMUJFWSA-O
XLogP1.17
TPSA52.63 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-propan-2-yl-1H-indole
CID 12534824
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
2-(1H-indol-3-yl)-4-methylpentanoic acid
CID 83644825
ethyl (2R,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoate
CID 14735622
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium?
The IUPAC name of [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium (CID 7308487) is [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium.
What is the SMILES notation for [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium?
The canonical SMILES for [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium is CC(C)[NH2+]C[C@@H](O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium?
The InChIKey is QYGJBFKZJZURRL-CYBMUJFWSA-O. The full InChI is InChI=1S/C13H18N2O/c1-9(2)14-8-13(16)11-7-15-12-6-4-3-5-10(11)12/h3-7,9,13-16H,8H2,1-2H3/p+1/t13-/m1/s1.
What are the key properties of [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium?
[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium has a molecular weight of 219.31 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium is sourced from PubChem (CID 7308487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).