methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate

C15H24N2O2 — CID 79416389

IUPACmethyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate
SMILESCCC1CCC(NCc2ccc(C(=O)OC)[nH]2)C1C
InChIInChI=1S/C15H24N2O2/c1-4-11-5-7-13(10(11)2)16-9-12-6-8-14(17-12)15(18)19-3/h6,8,10-11,13,16-17H,4-5,7,9H2,1-3H3
InChIKeyZTYYOONIMKKORY-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.72
Rot. Bonds5

About methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate

methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate (PubChem CID 79416389) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate
PubChem CID79416389
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate
SMILESCCC1CCC(NCc2ccc(C(=O)OC)[nH]2)C1C
InChIInChI=1S/C15H24N2O2/c1-4-11-5-7-13(10(11)2)16-9-12-6-8-14(17-12)15(18)19-3/h6,8,10-11,13,16-17H,4-5,7,9H2,1-3H3
InChIKeyZTYYOONIMKKORY-UHFFFAOYSA-N
XLogP2.72
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate (CID 79416389) is methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate is CCC1CCC(NCc2ccc(C(=O)OC)[nH]2)C1C.
What is the InChIKey of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate?
The InChIKey is ZTYYOONIMKKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-11-5-7-13(10(11)2)16-9-12-6-8-14(17-12)15(18)19-3/h6,8,10-11,13,16-17H,4-5,7,9H2,1-3H3.
What are the key properties of methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate?
methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 79416389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).