[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C17H26N3O2+ — CID 9049765

IUPAC[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-12(2)18-16(21)11-19(4)13(3)17(22)20-10-9-14-7-5-6-8-15(14)20/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyGDWQHHGUEXXGEC-ZDUSSCGKSA-O
MW304.41 g/mol
LogP0.00
Rot. Bonds5

About [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049765) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049765
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)[C@@H](C)C(=O)N1CCc2ccccc21
InChIInChI=1S/C17H25N3O2/c1-12(2)18-16(21)11-19(4)13(3)17(22)20-10-9-14-7-5-6-8-15(14)20/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)/p+1/t13-/m0/s1
InChIKeyGDWQHHGUEXXGEC-ZDUSSCGKSA-O
XLogP0.00
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium 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

[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 8912891
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium
CID 8517428
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-propan-2-ylacetamide
CID 9049766
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
methyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 110351760
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049765) is [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)[C@@H](C)C(=O)N1CCc2ccccc21.
What is the InChIKey of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is GDWQHHGUEXXGEC-ZDUSSCGKSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)18-16(21)11-19(4)13(3)17(22)20-10-9-14-7-5-6-8-15(14)20/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)/p+1/t13-/m0/s1.
What are the key properties of [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 304.41 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).