methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate

C20H32N2O4 — CID 42677395

IUPACmethyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)C(C)N(CC(C)C)C(=O)C(C)C)c(C)n1C
InChIInChI=1S/C20H32N2O4/c1-11(2)10-22(19(24)12(3)4)15(7)18(23)16-13(5)17(20(25)26-9)21(8)14(16)6/h11-12,15H,10H2,1-9H3
InChIKeyOAHKCJQFEAHSKE-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.14
Rot. Bonds7

About methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate

methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate (PubChem CID 42677395) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate
PubChem CID42677395
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Namemethyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(C(=O)C(C)N(CC(C)C)C(=O)C(C)C)c(C)n1C
InChIInChI=1S/C20H32N2O4/c1-11(2)10-22(19(24)12(3)4)15(7)18(23)16-13(5)17(20(25)26-9)21(8)14(16)6/h11-12,15H,10H2,1-9H3
InChIKeyOAHKCJQFEAHSKE-UHFFFAOYSA-N
XLogP3.14
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate with MolForge

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Related Compounds

methyl 4-[(2S)-2-[acetyl(propyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144441
methyl 4-[2-[cyclohexylmethyl(2-methylpropanoyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677641
methyl 1,3,5-trimethyl-4-[(2R)-2-[3-methylbutyl(propanoyl)amino]propanoyl]pyrrole-2-carboxylate
CID 93144557
ethyl 1-ethyl-3,5-dimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate
CID 42674846
methyl 4-[(2R)-2-[benzenesulfonyl(2-methylpropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144607
methyl 4-[(2S)-2-[benzenesulfonyl(2-methylpropyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144608
methyl 4-[2-[(4-chlorobenzoyl)-(3-methylbutyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677604
methyl 4-[2-[(4-methoxybenzoyl)-(3-methylbutyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677596
methyl 4-[(2S)-2-[cyclopentanecarbonyl(ethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 93144382
methyl 4-[2-[ethylcarbamoyl(methyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42823544
methyl 4-[2-[cyclohexylmethyl(cyclopropanecarbonyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677648
methyl 4-[2-[furan-2-ylmethyl(3-methylbutanoyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677425

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate (CID 42677395) is methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate is COC(=O)c1c(C)c(C(=O)C(C)N(CC(C)C)C(=O)C(C)C)c(C)n1C.
What is the InChIKey of methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate?
The InChIKey is OAHKCJQFEAHSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-11(2)10-22(19(24)12(3)4)15(7)18(23)16-13(5)17(20(25)26-9)21(8)14(16)6/h11-12,15H,10H2,1-9H3.
What are the key properties of methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate?
methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate has a molecular weight of 364.49 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,5-trimethyl-4-[2-[2-methylpropanoyl(2-methylpropyl)amino]propanoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 42677395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).