methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate

C14H24N2O2 — CID 79619831

IUPACmethyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
SMILESCCNC(C)c1cccn1CC(C)(C)C(=O)OC
InChIInChI=1S/C14H24N2O2/c1-6-15-11(2)12-8-7-9-16(12)10-14(3,4)13(17)18-5/h7-9,11,15H,6,10H2,1-5H3
InChIKeyZTGSLKXOJKBHSA-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.36
Rot. Bonds6

About methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate

methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate (PubChem CID 79619831) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
PubChem CID79619831
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namemethyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate
SMILESCCNC(C)c1cccn1CC(C)(C)C(=O)OC
InChIInChI=1S/C14H24N2O2/c1-6-15-11(2)12-8-7-9-16(12)10-14(3,4)13(17)18-5/h7-9,11,15H,6,10H2,1-5H3
InChIKeyZTGSLKXOJKBHSA-UHFFFAOYSA-N
XLogP2.36
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate (CID 79619831) is methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate is CCNC(C)c1cccn1CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
The InChIKey is ZTGSLKXOJKBHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-15-11(2)12-8-7-9-16(12)10-14(3,4)13(17)18-5/h7-9,11,15H,6,10H2,1-5H3.
What are the key properties of methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate?
methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate has a molecular weight of 252.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 79619831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).