(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one

C11H13BrN2O — CID 119280335

IUPAC(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O/c1-7(13)11(15)14-5-4-8-6-9(12)2-3-10(8)14/h2-3,6-7H,4-5,13H2,1H3/t7-/m0/s1
InChIKeyYTMCBSPCJUXAHD-ZETCQYMHSA-N
MW269.14 g/mol
LogP1.69
Rot. Bonds1

About (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one

(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 119280335) has the molecular formula C11H13BrN2O and a molecular weight of 269.14 g/mol. Its IUPAC name is (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID119280335
Molecular FormulaC11H13BrN2O
Molecular Weight269.14 g/mol
Exact Mass268.02
IUPAC Name(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCc2cc(Br)ccc21
InChIInChI=1S/C11H13BrN2O/c1-7(13)11(15)14-5-4-8-6-9(12)2-3-10(8)14/h2-3,6-7H,4-5,13H2,1H3/t7-/m0/s1
InChIKeyYTMCBSPCJUXAHD-ZETCQYMHSA-N
XLogP1.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
CID 113382385
1-[(2S)-2-aminopropanoyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 119305331
2-amino-1-(6-bromo-2,3-dihydroindol-1-yl)-3-methylpentan-1-one
CID 119785536
1-(5-bromo-2,3-dihydroindol-1-yl)-3-hydroxypropan-1-one
CID 142480057
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
4-amino-1-(5-bromo-2,3-dihydroindol-1-yl)butan-1-one;hydrochloride
CID 119280353
2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)-2-methylpentan-1-one
CID 119706877

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one (CID 119280335) is (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one is C[C@H](N)C(=O)N1CCc2cc(Br)ccc21.
What is the InChIKey of (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is YTMCBSPCJUXAHD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13BrN2O/c1-7(13)11(15)14-5-4-8-6-9(12)2-3-10(8)14/h2-3,6-7H,4-5,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one?
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 269.14 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 119280335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).