methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate

C24H28N2O3 — CID 55940416

IUPACmethyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-16(2)18-11-8-17(9-12-18)10-13-23(27)26-22(24(28)29-3)14-19-15-25-21-7-5-4-6-20(19)21/h4-9,11-12,15-16,22,25H,10,13-14H2,1-3H3,(H,26,27)/t22-/m1/s1
InChIKeyUFHRWDCISUVNBA-JOCHJYFZSA-N
MW392.50 g/mol
LogP4.12
Rot. Bonds8

About methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate

methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate (PubChem CID 55940416) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate
PubChem CID55940416
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Namemethyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate
SMILESCOC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H28N2O3/c1-16(2)18-11-8-17(9-12-18)10-13-23(27)26-22(24(28)29-3)14-19-15-25-21-7-5-4-6-20(19)21/h4-9,11-12,15-16,22,25H,10,13-14H2,1-3H3,(H,26,27)/t22-/m1/s1
InChIKeyUFHRWDCISUVNBA-JOCHJYFZSA-N
XLogP4.12
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate?
The IUPAC name of methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate (CID 55940416) is methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate.
What is the SMILES notation for methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate?
The canonical SMILES for methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate is COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1ccc(C(C)C)cc1.
What is the InChIKey of methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate?
The InChIKey is UFHRWDCISUVNBA-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16(2)18-11-8-17(9-12-18)10-13-23(27)26-22(24(28)29-3)14-19-15-25-21-7-5-4-6-20(19)21/h4-9,11-12,15-16,22,25H,10,13-14H2,1-3H3,(H,26,27)/t22-/m1/s1.
What are the key properties of methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate?
methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate has a molecular weight of 392.50 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(1H-indol-3-yl)-2-[3-(4-propan-2-ylphenyl)propanoylamino]propanoate is sourced from PubChem (CID 55940416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).