[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate

C20H19NO4 — CID 8790821

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
SMILESC[C@H](Oc1ccccc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H19NO4/c1-13(19(22)17-12-21-18-11-7-6-10-16(17)18)25-20(23)14(2)24-15-8-4-3-5-9-15/h3-14,21H,1-2H3/t13-,14+/m1/s1
InChIKeyZJXOKEGNSDHNFP-KGLIPLIRSA-N
MW337.38 g/mol
LogP3.75
Rot. Bonds6

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate (PubChem CID 8790821) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
PubChem CID8790821
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate
SMILESC[C@H](Oc1ccccc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H19NO4/c1-13(19(22)17-12-21-18-11-7-6-10-16(17)18)25-20(23)14(2)24-15-8-4-3-5-9-15/h3-14,21H,1-2H3/t13-,14+/m1/s1
InChIKeyZJXOKEGNSDHNFP-KGLIPLIRSA-N
XLogP3.75
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate 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

4-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]oxybenzamide
CID 7931301
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 46790132
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 7609192
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-phenylbut-2-enoate
CID 71887732
(2R)-2-(2-chlorophenoxy)-1-(1H-indol-3-yl)propan-1-one
CID 7815825
cis-[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 8020011
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797163
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 43001103
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 42901001
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 8631199

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate (CID 8790821) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate is C[C@H](Oc1ccccc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
The InChIKey is ZJXOKEGNSDHNFP-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(19(22)17-12-21-18-11-7-6-10-16(17)18)25-20(23)14(2)24-15-8-4-3-5-9-15/h3-14,21H,1-2H3/t13-,14+/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate has a molecular weight of 337.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] (2S)-2-phenoxypropanoate is sourced from PubChem (CID 8790821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).