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

C14H16N2O3 — CID 23282732

IUPACethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)[nH]c1N
InChIInChI=1S/C14H16N2O3/c1-3-19-14(17)11-8-12(16-13(11)15)9-5-4-6-10(7-9)18-2/h4-8,16H,3,15H2,1-2H3
InChIKeyPFANZDRAGVIABF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.45
Rot. Bonds4

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

ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate (PubChem CID 23282732) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
PubChem CID23282732
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nameethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(OC)c2)[nH]c1N
InChIInChI=1S/C14H16N2O3/c1-3-19-14(17)11-8-12(16-13(11)15)9-5-4-6-10(7-9)18-2/h4-8,16H,3,15H2,1-2H3
InChIKeyPFANZDRAGVIABF-UHFFFAOYSA-N
XLogP2.45
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(3-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 66490254
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
3-ethoxycarbonyl-2-(3-methoxyphenyl)benzoic acid
CID 169449752
ethyl 2-amino-5-[4-(dimethylamino)phenyl]-1H-pyrrole-3-carboxylate
CID 82365141
ethyl 2-(2-acetylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 14144337
ethyl 5-[4-(4-ethoxycarbonyl-5-methyl-1H-pyrrol-2-yl)phenyl]-2-methyl-1H-pyrrole-3-carboxylate
CID 135021728
ethyl 2-methyl-5-naphthalen-2-yl-1H-pyrrole-3-carboxylate
CID 135022067
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
ethyl 4-(3,5-dimethoxyphenyl)-1H-pyrrole-3-carboxylate
CID 91665556
ethyl 4-(3-methoxyphenyl)-5-(4-methylsulfanylphenyl)-1H-pyrrole-3-carboxylate
CID 175986706
ethyl 8-amino-2-(3-methoxyphenyl)-1,7-naphthyridine-5-carboxylate
CID 71680298
ethyl 4-(dimethylamino)-2-(3-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517799

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate (CID 23282732) is ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(OC)c2)[nH]c1N.
What is the InChIKey of ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate?
The InChIKey is PFANZDRAGVIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-19-14(17)11-8-12(16-13(11)15)9-5-4-6-10(7-9)18-2/h4-8,16H,3,15H2,1-2H3.
What are the key properties of ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate?
ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-(3-methoxyphenyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 23282732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).