(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol

C11H14N2O — CID 55273031

IUPAC(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c1-7(14)11(12)9-3-2-4-10-8(9)5-6-13-10/h2-7,11,13-14H,12H2,1H3/t7-,11+/m0/s1
InChIKeyLCYTXONLQNLZCU-WRWORJQWSA-N
MW190.25 g/mol
LogP1.55
Rot. Bonds2

About (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol

(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol (PubChem CID 55273031) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
PubChem CID55273031
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C11H14N2O/c1-7(14)11(12)9-3-2-4-10-8(9)5-6-13-10/h2-7,11,13-14H,12H2,1H3/t7-,11+/m0/s1
InChIKeyLCYTXONLQNLZCU-WRWORJQWSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-1-(1H-indol-4-yl)propan-1-ol
CID 94841904
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262561
(2R,3R)-3-amino-1,1,1-trifluoro-3-(1H-indol-4-yl)propan-2-ol
CID 171262562
(1R,2S)-2-amino-1-cyclopropyl-2-(1H-indol-4-yl)ethanol
CID 171268223
(1R,2S)-1-amino-1-(1H-indol-4-yl)pentan-2-ol;hydrochloride
CID 171262567
(1S,2R)-1-amino-1-(1H-indol-4-yl)hexan-2-ol
CID 171268241
(1S,2R)-2-amino-1-cyclopentyl-2-(1H-indol-4-yl)ethanol
CID 171262554
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
1-amino-1-(1H-indol-4-yl)propan-2-one
CID 55270275
(1R,2S)-1-amino-1-(1H-indol-4-yl)-3-phenylpropan-2-ol;hydrochloride
CID 171262573
1-(1H-indol-4-yl)-2,4-dimethylpentan-1-ol
CID 114200544

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol?
The IUPAC name of (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol (CID 55273031) is (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol.
What is the SMILES notation for (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol?
The canonical SMILES for (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol is C[C@H](O)[C@@H](N)c1cccc2[nH]ccc12.
What is the InChIKey of (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol?
The InChIKey is LCYTXONLQNLZCU-WRWORJQWSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7(14)11(12)9-3-2-4-10-8(9)5-6-13-10/h2-7,11,13-14H,12H2,1H3/t7-,11+/m0/s1.
What are the key properties of (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol?
(1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol has a molecular weight of 190.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-amino-1-(1H-indol-4-yl)propan-2-ol is sourced from PubChem (CID 55273031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).