methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate

C11H18N2O2 — CID 170888773

IUPACmethyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate
SMILESCCC(N)Cc1cc(C(=O)OC)n(C)c1
InChIInChI=1S/C11H18N2O2/c1-4-9(12)5-8-6-10(11(14)15-3)13(2)7-8/h6-7,9H,4-5,12H2,1-3H3
InChIKeyVCIFYJMGOMVNGJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.09
Rot. Bonds4

About methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate

methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate (PubChem CID 170888773) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate
PubChem CID170888773
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate
SMILESCCC(N)Cc1cc(C(=O)OC)n(C)c1
InChIInChI=1S/C11H18N2O2/c1-4-9(12)5-8-6-10(11(14)15-3)13(2)7-8/h6-7,9H,4-5,12H2,1-3H3
InChIKeyVCIFYJMGOMVNGJ-UHFFFAOYSA-N
XLogP1.09
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-methoxycarbonyl-1-methylpyrrol-3-yl)acetic acid
CID 83670551
methyl 4-[2-(4-amino-1-methylpyrrol-2-yl)-2-oxoethyl]-1-methylpyrrole-2-carboxylate
CID 58357323
methyl 1-methyl-4-[2-(1-methyl-4-nitropyrrol-2-yl)-2-oxoethyl]pyrrole-2-carboxylate
CID 157051092
methyl 5-(2-aminobutyl)-2-methylfuran-3-carboxylate
CID 170888841
2-[[(5-methoxycarbonyl-1-methylpyrrol-3-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122128008
methyl 5-[(2R)-2-aminobutyl]-1H-indole-2-carboxylate
CID 59979274
1-(4-ethyl-1-methylpyrrol-2-yl)ethanone
CID 58122822
methyl 1-methyl-4-(4-methylphenyl)pyrrole-2-carboxylate
CID 58326664
5-methoxycarbonyl-1-methylpyrrole-3-sulfinic acid
CID 165449442
(E)-3-(5-methoxycarbonyl-1-methylpyrrol-3-yl)-2-methylprop-2-enoic acid
CID 170873385
methyl 4-(4-hydroxyphenyl)-1-methylpyrrole-2-carboxylate
CID 117223159
(2S)-1-(3,5-dimethylphenyl)butan-2-amine
CID 104932267

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate (CID 170888773) is methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate is CCC(N)Cc1cc(C(=O)OC)n(C)c1.
What is the InChIKey of methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate?
The InChIKey is VCIFYJMGOMVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9(12)5-8-6-10(11(14)15-3)13(2)7-8/h6-7,9H,4-5,12H2,1-3H3.
What are the key properties of methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate?
methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminobutyl)-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 170888773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).