methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

C24H25N3O5 — CID 42534750

IUPACmethyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C24H25N3O5/c1-31-18-9-7-17(8-10-18)27-14-16(12-22(27)28)23(29)26-21(24(30)32-2)11-15-13-25-20-6-4-3-5-19(15)20/h3-10,13,16,21,25H,11-12,14H2,1-2H3,(H,26,29)/t16-,21-/m0/s1
InChIKeyMMJBJYKRIRKMCQ-KKSFZXQISA-N
MW435.48 g/mol
LogP2.43
Rot. Bonds7

About methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate

methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate (PubChem CID 42534750) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
PubChem CID42534750
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Namemethyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C24H25N3O5/c1-31-18-9-7-17(8-10-18)27-14-16(12-22(27)28)23(29)26-21(24(30)32-2)11-15-13-25-20-6-4-3-5-19(15)20/h3-10,13,16,21,25H,11-12,14H2,1-2H3,(H,26,29)/t16-,21-/m0/s1
InChIKeyMMJBJYKRIRKMCQ-KKSFZXQISA-N
XLogP2.43
TPSA100.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl (2R)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 39889979
methyl (2R)-2-[[1-(2,3-dihydro-1H-inden-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 46586392
methyl 2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 56726582
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
(3R)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29140215
methyl 3-(4-hydroxyphenyl)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 108798776
methyl 2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-3-phenylpropanoate
CID 42650262
(3S)-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29135725
1-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42952582
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl (2R)-3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 53306565

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate (CID 42534750) is methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate is COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
The InChIKey is MMJBJYKRIRKMCQ-KKSFZXQISA-N. The full InChI is InChI=1S/C24H25N3O5/c1-31-18-9-7-17(8-10-18)27-14-16(12-22(27)28)23(29)26-21(24(30)32-2)11-15-13-25-20-6-4-3-5-19(15)20/h3-10,13,16,21,25H,11-12,14H2,1-2H3,(H,26,29)/t16-,21-/m0/s1.
What are the key properties of methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate?
methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate has a molecular weight of 435.48 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(1H-indol-3-yl)-2-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 42534750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).