[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium

C11H13N2O2+ — CID 2374175

IUPAC[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
SMILESCOC(=O)[C@H]([NH3+])c1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-15-11(14)10(12)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,13H,12H2,1H3/p+1/t10-/m1/s1
InChIKeyBFIGWERHCJBNBJ-SNVBAGLBSA-O
MW205.24 g/mol
LogP0.62
Rot. Bonds2

About [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium

[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium (PubChem CID 2374175) has the molecular formula C11H13N2O2+ and a molecular weight of 205.24 g/mol. Its IUPAC name is [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
PubChem CID2374175
Molecular FormulaC11H13N2O2+
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium
SMILESCOC(=O)[C@H]([NH3+])c1c[nH]c2ccccc12
InChIInChI=1S/C11H12N2O2/c1-15-11(14)10(12)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,13H,12H2,1H3/p+1/t10-/m1/s1
InChIKeyBFIGWERHCJBNBJ-SNVBAGLBSA-O
XLogP0.62
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium with MolForge

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Related Compounds

methyl 2-(1H-indol-3-yl)-2-methoxyacetate
CID 13133991
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
[hydrazinecarbonyloxy(1H-indol-3-yl)methyl] N-aminocarbamate
CID 67902992
methyl 3-(1H-indol-3-yl)-2-nitrobutanoate
CID 2853837
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
1-O-ethyl 3-O-methyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]propanedioate
CID 2036724
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
O-methyl 2-(1H-indol-3-yl)propanethioate
CID 175999824
2-hydroxy-2-(1H-indol-3-yl)-N-methylacetamide
CID 83532275
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium (CID 2374175) is [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium is COC(=O)[C@H]([NH3+])c1c[nH]c2ccccc12.
What is the InChIKey of [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium?
The InChIKey is BFIGWERHCJBNBJ-SNVBAGLBSA-O. The full InChI is InChI=1S/C11H12N2O2/c1-15-11(14)10(12)8-6-13-9-5-3-2-4-7(8)9/h2-6,10,13H,12H2,1H3/p+1/t10-/m1/s1.
What are the key properties of [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium?
[(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium has a molecular weight of 205.24 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1H-indol-3-yl)-2-methoxy-2-oxoethyl]azanium is sourced from PubChem (CID 2374175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).