methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate

C20H24N2O3 — CID 15011785

IUPACmethyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate
SMILESCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C=CC(=O)C[C@H]1C(C)C
InChIInChI=1S/C20H24N2O3/c1-13(2)18-11-15(23)8-9-22(18)19(20(24)25-3)10-14-12-21-17-7-5-4-6-16(14)17/h4-9,12-13,18-19,21H,10-11H2,1-3H3/t18-,19-/m0/s1
InChIKeyFTQAKJVLJYSWKJ-OALUTQOASA-N
MW340.42 g/mol
LogP3.07
Rot. Bonds5

About methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate

methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate (PubChem CID 15011785) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate
PubChem CID15011785
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate
SMILESCOC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C=CC(=O)C[C@H]1C(C)C
InChIInChI=1S/C20H24N2O3/c1-13(2)18-11-15(23)8-9-22(18)19(20(24)25-3)10-14-12-21-17-7-5-4-6-16(14)17/h4-9,12-13,18-19,21H,10-11H2,1-3H3/t18-,19-/m0/s1
InChIKeyFTQAKJVLJYSWKJ-OALUTQOASA-N
XLogP3.07
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate 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

methyl (2S)-3-(1H-indol-3-yl)-2-pyrrol-1-ylpropanoate
CID 102183905
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
methyl 2-bromo-3-(1H-indol-3-yl)propanoate
CID 82627645
[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]azanium chloride
CID 2737346
methyl (2S)-2-[4-(2-aminoethoxy)-1,3-dioxoisoindol-2-yl]-3-(1H-indol-3-yl)propanoate
CID 156634951
methyl (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoate
CID 10988127
methyl (2S)-2-[(15S)-12,12-dimethyl-14-oxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl]-3-(1H-indol-3-yl)propanoate
CID 24951343
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
methyl 3-[1-(1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoate
CID 146188971
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl (2S)-2-[(2-deuterioacetyl)amino]-3-(1H-indol-3-yl)propanoate
CID 163359044
methyl (2S)-3-(1H-indol-3-yl)-2-[(3S)-3-methyl-4-(2-nitrophenyl)sulfonylpiperazin-1-yl]propanoate
CID 126560515

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate?
The IUPAC name of methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate (CID 15011785) is methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate?
The canonical SMILES for methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate is COC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C=CC(=O)C[C@H]1C(C)C.
What is the InChIKey of methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate?
The InChIKey is FTQAKJVLJYSWKJ-OALUTQOASA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13(2)18-11-15(23)8-9-22(18)19(20(24)25-3)10-14-12-21-17-7-5-4-6-16(14)17/h4-9,12-13,18-19,21H,10-11H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate?
methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate has a molecular weight of 340.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(1H-indol-3-yl)-2-[(2S)-4-oxo-2-propan-2-yl-2,3-dihydropyridin-1-yl]propanoate is sourced from PubChem (CID 15011785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).