(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate

C15H18N2O4 — CID 61322696

IUPAC(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCOc1ccc(COC(=O)c2cc(N)cn2C)cc1OC
InChIInChI=1S/C15H18N2O4/c1-17-8-11(16)7-12(17)15(18)21-9-10-4-5-13(19-2)14(6-10)20-3/h4-8H,9,16H2,1-3H3
InChIKeyJSGZZDMCJQLZJV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.98
Rot. Bonds5

About (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate

(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 61322696) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID61322696
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCOc1ccc(COC(=O)c2cc(N)cn2C)cc1OC
InChIInChI=1S/C15H18N2O4/c1-17-8-11(16)7-12(17)15(18)21-9-10-4-5-13(19-2)14(6-10)20-3/h4-8H,9,16H2,1-3H3
InChIKeyJSGZZDMCJQLZJV-UHFFFAOYSA-N
XLogP1.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

quinolin-6-ylmethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322875
(3-bromo-4-methoxyphenyl)methyl 1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxylate
CID 55459706
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 61115670
(3,4-dimethoxyphenyl)methoxymethanol
CID 69007274
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
(3-methyl-2-pyridinyl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 112651180
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
(3-methoxy-2,2-dimethyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 79620796
(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 103036381
methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
CID 58357323
(1-pentan-3-ylpyrazol-3-yl)methyl 4-amino-1-methylpyrrole-2-carboxylate
CID 64778440
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate (CID 61322696) is (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate is COc1ccc(COC(=O)c2cc(N)cn2C)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is JSGZZDMCJQLZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-17-8-11(16)7-12(17)15(18)21-9-10-4-5-13(19-2)14(6-10)20-3/h4-8H,9,16H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate?
(3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 61322696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).