ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate

C13H22N2O3 — CID 14417272

IUPACethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C13H22N2O3/c1-6-18-10(16)8-14-11(17)9-7-12(2,3)15-13(9,4)5/h7,15H,6,8H2,1-5H3,(H,14,17)
InChIKeyOLLGJJKHZBBPQD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.75
Rot. Bonds4

About ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate

ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate (PubChem CID 14417272) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate
PubChem CID14417272
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1=CC(C)(C)NC1(C)C
InChIInChI=1S/C13H22N2O3/c1-6-18-10(16)8-14-11(17)9-7-12(2,3)15-13(9,4)5/h7,15H,6,8H2,1-5H3,(H,14,17)
InChIKeyOLLGJJKHZBBPQD-UHFFFAOYSA-N
XLogP0.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate 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 ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate (CID 14417272) is ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1=CC(C)(C)NC1(C)C.
What is the InChIKey of ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate?
The InChIKey is OLLGJJKHZBBPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-6-18-10(16)8-14-11(17)9-7-12(2,3)15-13(9,4)5/h7,15H,6,8H2,1-5H3,(H,14,17).
What are the key properties of ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate?
ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate has a molecular weight of 254.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate is sourced from PubChem (CID 14417272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).