(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol

C13H18N2O — CID 171262620

IUPAC(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-2-3-12(16)13(14)10-5-4-9-6-7-15-11(9)8-10/h4-8,12-13,15-16H,2-3,14H2,1H3/t12-,13+/m0/s1
InChIKeyUHFGEZTUCIQPHG-QWHCGFSZSA-N
MW218.30 g/mol
LogP2.33
Rot. Bonds4

About (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol

(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol (PubChem CID 171262620) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
PubChem CID171262620
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1ccc2cc[nH]c2c1
InChIInChI=1S/C13H18N2O/c1-2-3-12(16)13(14)10-5-4-9-6-7-15-11(9)8-10/h4-8,12-13,15-16H,2-3,14H2,1H3/t12-,13+/m0/s1
InChIKeyUHFGEZTUCIQPHG-QWHCGFSZSA-N
XLogP2.33
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol (CID 171262620) is (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol is CCC[C@H](O)[C@H](N)c1ccc2cc[nH]c2c1.
What is the InChIKey of (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
The InChIKey is UHFGEZTUCIQPHG-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-3-12(16)13(14)10-5-4-9-6-7-15-11(9)8-10/h4-8,12-13,15-16H,2-3,14H2,1H3/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol?
(1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(1H-indol-6-yl)pentan-2-ol is sourced from PubChem (CID 171262620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).