methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C15H23N3O4 — CID 71912470

IUPACmethyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCNC(=O)C(C)(C)CNC(=O)c1[nH]c(C)c(C(=O)OC)c1C
InChIInChI=1S/C15H23N3O4/c1-8-10(13(20)22-6)9(2)18-11(8)12(19)17-7-15(3,4)14(21)16-5/h18H,7H2,1-6H3,(H,16,21)(H,17,19)
InChIKeyMGBSUDKGBXLEMI-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.92
Rot. Bonds5

About methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 71912470) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID71912470
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Namemethyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCNC(=O)C(C)(C)CNC(=O)c1[nH]c(C)c(C(=O)OC)c1C
InChIInChI=1S/C15H23N3O4/c1-8-10(13(20)22-6)9(2)18-11(8)12(19)17-7-15(3,4)14(21)16-5/h18H,7H2,1-6H3,(H,16,21)(H,17,19)
InChIKeyMGBSUDKGBXLEMI-UHFFFAOYSA-N
XLogP0.92
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2,4-dimethyl-5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 18105528
methyl 5-[2-(diethylamino)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 29368914
methyl 5-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17432796
propan-2-yl 5-(2-methoxyethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 17393738
methyl 5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 87043344
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51157865
methyl 2,4-dimethyl-5-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 36545122
methyl 5-(4-methoxy-3,4-dioxobutanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 99110372
methyl 2,4-dimethyl-5-(2-phenylsulfanylethylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 34440664
2-O-(cyanomethyl) 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2660216
methyl 5-[[(2R)-2-(dimethylamino)-2-phenylethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 41292728
propan-2-yl 5-(2-acetamidoethylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 30597236

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 71912470) is methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is CNC(=O)C(C)(C)CNC(=O)c1[nH]c(C)c(C(=O)OC)c1C.
What is the InChIKey of methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is MGBSUDKGBXLEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-8-10(13(20)22-6)9(2)18-11(8)12(19)17-7-15(3,4)14(21)16-5/h18H,7H2,1-6H3,(H,16,21)(H,17,19).
What are the key properties of methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 71912470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).