ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate

C15H18N2O3 — CID 92715293

IUPACethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2OCC)cc1N
InChIInChI=1S/C15H18N2O3/c1-3-19-13-8-6-5-7-10(13)12-9-11(16)14(17-12)15(18)20-4-2/h5-9,17H,3-4,16H2,1-2H3
InChIKeyXSOKHJXHUMZQKX-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.84
Rot. Bonds5

About ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate

ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate (PubChem CID 92715293) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate
PubChem CID92715293
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2OCC)cc1N
InChIInChI=1S/C15H18N2O3/c1-3-19-13-8-6-5-7-10(13)12-9-11(16)14(17-12)15(18)20-4-2/h5-9,17H,3-4,16H2,1-2H3
InChIKeyXSOKHJXHUMZQKX-UHFFFAOYSA-N
XLogP2.84
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-amino-5-(2-ethoxyphenyl)-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

Related Compounds

ethyl 5-(2-fluorophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 141297667
ethyl 2-amino-4-(2-ethoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 54851455
2-(2-ethoxyphenyl)-5-methylaniline
CID 82766449
4-(2-ethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286764
2-ethoxyaniline;propan-2-one
CID 517004
ethyl 5-(4-iodophenyl)-3-phenyl-1H-pyrrole-2-carboxylate
CID 102235864
ethyl 3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-5-phenyl-1H-pyrrole-2-carboxylate
CID 164666178
methyl 5-amino-2-(2-ethoxyphenyl)benzoate
CID 168665379
ethyl 5-amino-2-oxo-1H-pyrimidine-6-carboxylate
CID 117272940
6-(2-ethoxyphenyl)-3-(sulfanylmethyl)-1H-pyridin-2-one
CID 82518878
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate (CID 92715293) is ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2OCC)cc1N.
What is the InChIKey of ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate?
The InChIKey is XSOKHJXHUMZQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-19-13-8-6-5-7-10(13)12-9-11(16)14(17-12)15(18)20-4-2/h5-9,17H,3-4,16H2,1-2H3.
What are the key properties of ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate?
ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(2-ethoxyphenyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 92715293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).