3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol

C11H14N2O — CID 23928157

IUPAC3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
SMILESC[C@H](CN)c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C11H14N2O/c1-7(5-12)10-6-13-11-3-2-8(14)4-9(10)11/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m1/s1
InChIKeyRPGDCRNUJYFGLT-SSDOTTSWSA-N
MW190.25 g/mol
LogP1.94
Rot. Bonds2

About 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol

3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol (PubChem CID 23928157) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
PubChem CID23928157
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol
SMILESC[C@H](CN)c1c[nH]c2ccc(O)cc12
InChIInChI=1S/C11H14N2O/c1-7(5-12)10-6-13-11-3-2-8(14)4-9(10)11/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m1/s1
InChIKeyRPGDCRNUJYFGLT-SSDOTTSWSA-N
XLogP1.94
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3-[2-amino-1-(ethylamino)ethyl]-1H-indol-5-ol
CID 141212916
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
CID 84737251
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
3-[2-[4-[2,2-bis(5-hydroxy-1H-indol-3-yl)ethyl]phenyl]-1-(5-hydroxy-1H-indol-3-yl)ethyl]-1H-indol-5-ol
CID 155565501
2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
2-[1-(5-hydroxy-1H-indol-3-yl)ethyl]-3-propyl-1H-indol-5-ol
CID 152819543
2-(3,6-dihydro-2H-[1,4]dioxino[2,3-f]indol-8-yl)propan-1-amine
CID 82495727
2-(1-aminopropan-2-yl)benzene-1,4-diol
CID 3028773
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol?
The IUPAC name of 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol (CID 23928157) is 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol.
What is the SMILES notation for 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol?
The canonical SMILES for 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol is C[C@H](CN)c1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol?
The InChIKey is RPGDCRNUJYFGLT-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(5-12)10-6-13-11-3-2-8(14)4-9(10)11/h2-4,6-7,13-14H,5,12H2,1H3/t7-/m1/s1.
What are the key properties of 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol?
3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol has a molecular weight of 190.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-aminopropan-2-yl]-1H-indol-5-ol is sourced from PubChem (CID 23928157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).