methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate

C12H19N3O3 — CID 114273533

IUPACmethyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate
SMILESCNC(=O)CNCc1cc(C(=O)OC)c(C)n1C
InChIInChI=1S/C12H19N3O3/c1-8-10(12(17)18-4)5-9(15(8)3)6-14-7-11(16)13-2/h5,14H,6-7H2,1-4H3,(H,13,16)
InChIKeyLZEHEOTWMODIKV-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.04
Rot. Bonds5

About methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate

methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate (PubChem CID 114273533) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate
PubChem CID114273533
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate
SMILESCNC(=O)CNCc1cc(C(=O)OC)c(C)n1C
InChIInChI=1S/C12H19N3O3/c1-8-10(12(17)18-4)5-9(15(8)3)6-14-7-11(16)13-2/h5,14H,6-7H2,1-4H3,(H,13,16)
InChIKeyLZEHEOTWMODIKV-UHFFFAOYSA-N
XLogP-0.04
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1,2-dimethyl-5-[(2-methylsulfanylethylamino)methyl]pyrrole-3-carboxylate
CID 114273544
4-[[(4-methoxycarbonyl-1,5-dimethylpyrrol-2-yl)methylamino]methyl]benzoic acid
CID 122036060
methyl 5-bromo-1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929209
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
methyl 1,2-dimethyl-5-(2,3,4,5-tetramethylphenyl)pyrrole-3-carboxylate
CID 159349463
5-[(4-methoxybutan-2-ylamino)methyl]-1,2-dimethylpyrrole-3-carboxylic acid
CID 114273545
methyl 1,2-dimethyl-6-oxopyridine-3-carboxylate
CID 68929462
methyl 2,5-dichloro-1-methylpyrrole-3-carboxylate
CID 86688707
methyl 5-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-2-methylfuran-3-carboxylate
CID 115278913
methyl 5-[[1-(1H-indazol-7-yl)ethylamino]methyl]-1,2-dimethylpyrrole-3-carboxylate;2,2,2-trifluoroacetic acid
CID 167948740
2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-N-methylacetamide
CID 102831548
ethyl 1,2,5-trimethylpyrrole-3-carboxylate
CID 2322899

Frequently Asked Questions

What is the IUPAC name of methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate?
The IUPAC name of methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate (CID 114273533) is methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate?
The canonical SMILES for methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate is CNC(=O)CNCc1cc(C(=O)OC)c(C)n1C.
What is the InChIKey of methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate?
The InChIKey is LZEHEOTWMODIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8-10(12(17)18-4)5-9(15(8)3)6-14-7-11(16)13-2/h5,14H,6-7H2,1-4H3,(H,13,16).
What are the key properties of methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate?
methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,2-dimethyl-5-[[[2-(methylamino)-2-oxoethyl]amino]methyl]pyrrole-3-carboxylate is sourced from PubChem (CID 114273533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).