methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate

C20H24N2O3 — CID 7042363

IUPACmethyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2c3ccccc3C[C@@H]2C)c1C
InChIInChI=1S/C20H24N2O3/c1-11-10-15-8-6-7-9-16(15)22(11)14(4)19(23)18-12(2)17(13(3)21-18)20(24)25-5/h6-9,11,14,21H,10H2,1-5H3/t11-,14-/m0/s1
InChIKeyMATCAOTVPNHEOL-FZMZJTMJSA-N
MW340.42 g/mol
LogP3.44
Rot. Bonds4

About methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate

methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate (PubChem CID 7042363) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate
PubChem CID7042363
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2c3ccccc3C[C@@H]2C)c1C
InChIInChI=1S/C20H24N2O3/c1-11-10-15-8-6-7-9-16(15)22(11)14(4)19(23)18-12(2)17(13(3)21-18)20(24)25-5/h6-9,11,14,21H,10H2,1-5H3/t11-,14-/m0/s1
InChIKeyMATCAOTVPNHEOL-FZMZJTMJSA-N
XLogP3.44
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 5-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42912006
methyl 5-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 8893693
methyl 5-[(2S)-2-(4-benzylpiperazin-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 31127743
ethyl 3,5-dimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrrole-2-carboxylate
CID 43953848
methyl 2,4-dimethyl-5-[(2S)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate
CID 8513144
methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methylmorpholin-4-yl]propanoyl]-1H-pyrrole-3-carboxylate
CID 26011276
methyl 5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51168406
methyl 5-[2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 78788021
methyl 2,4-dimethyl-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoyl]-1H-pyrrole-3-carboxylate
CID 55470930
methyl 5-[(2R)-2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 34792973
methyl 5-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46613916
(2R)-N-(4-acetylphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 2128245

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate (CID 7042363) is methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2c3ccccc3C[C@@H]2C)c1C.
What is the InChIKey of methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is MATCAOTVPNHEOL-FZMZJTMJSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-11-10-15-8-6-7-9-16(15)22(11)14(4)19(23)18-12(2)17(13(3)21-18)20(24)25-5/h6-9,11,14,21H,10H2,1-5H3/t11-,14-/m0/s1.
What are the key properties of methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate?
methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 7042363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).