(1S)-1-amino-2-(1H-indol-3-yl)ethanol

C10H12N2O — CID 20846113

IUPAC(1S)-1-amino-2-(1H-indol-3-yl)ethanol
SMILESN[C@@H](O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1
InChIKeyWNWJSYYPDDQIQV-JTQLQIEISA-N
MW176.22 g/mol
LogP0.99
Rot. Bonds2

About (1S)-1-amino-2-(1H-indol-3-yl)ethanol

(1S)-1-amino-2-(1H-indol-3-yl)ethanol (PubChem CID 20846113) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (1S)-1-amino-2-(1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-amino-2-(1H-indol-3-yl)ethanol
PubChem CID20846113
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(1S)-1-amino-2-(1H-indol-3-yl)ethanol
SMILESN[C@@H](O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1
InChIKeyWNWJSYYPDDQIQV-JTQLQIEISA-N
XLogP0.99
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Indole-3-Butyric Acid
CID 8617
Serotonin
CID 5202
L-Tryptophan
CID 6305
Skatole
CID 6736
Indole-3-Acetic Acid
CID 802
Tryptamine
CID 1150
Indole-3-Carbinol
CID 3712
1H-Indole-3-propanoic acid
CID 3744
N,N-Dimethyltryptamine
CID 6089
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
Gramine
CID 6890

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-2-(1H-indol-3-yl)ethanol?
The IUPAC name of (1S)-1-amino-2-(1H-indol-3-yl)ethanol (CID 20846113) is (1S)-1-amino-2-(1H-indol-3-yl)ethanol.
What is the SMILES notation for (1S)-1-amino-2-(1H-indol-3-yl)ethanol?
The canonical SMILES for (1S)-1-amino-2-(1H-indol-3-yl)ethanol is N[C@@H](O)Cc1c[nH]c2ccccc12.
What is the InChIKey of (1S)-1-amino-2-(1H-indol-3-yl)ethanol?
The InChIKey is WNWJSYYPDDQIQV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5,11H2/t10-/m0/s1.
What are the key properties of (1S)-1-amino-2-(1H-indol-3-yl)ethanol?
(1S)-1-amino-2-(1H-indol-3-yl)ethanol has a molecular weight of 176.22 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-2-(1H-indol-3-yl)ethanol is sourced from PubChem (CID 20846113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).