ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

C18H19NO6 — CID 2415715

IUPACethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C18H19NO6/c1-4-24-18(23)16-11(3)19-10(2)15(16)14(21)9-25-17(22)12-7-5-6-8-13(12)20/h5-8,19-20H,4,9H2,1-3H3
InChIKeyAVGBWLDVGONISR-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.55
Rot. Bonds6

About ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 2415715) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID2415715
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Nameethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1O
InChIInChI=1S/C18H19NO6/c1-4-24-18(23)16-11(3)19-10(2)15(16)14(21)9-25-17(22)12-7-5-6-8-13(12)20/h5-8,19-20H,4,9H2,1-3H3
InChIKeyAVGBWLDVGONISR-UHFFFAOYSA-N
XLogP2.55
TPSA105.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-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 4-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 668608
ethyl 2,5-dimethyl-4-[2-(3-phenylpropanoyloxy)acetyl]-1H-pyrrole-3-carboxylate
CID 2100429
methyl 4-[2-(2-hydroxybenzoyl)oxybenzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 14962112
ethyl 4-[2-(4-methoxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2122323
ethyl 4-[2-(3,5-dimethoxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2362327
ethyl 5-[2-(4-hydroxybenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2387764
ethyl 4-[2-(2-hydroxy-3-methylbenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2407851
ethyl 4-[2-(3,4-dimethoxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2416086
ethyl 4-[2-[3-(2-methoxyphenoxy)propanoyloxy]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2418021
ethyl 4-[2-(3-hydroxynaphthalene-2-carbonyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2424417
ethyl 4-[2-(3-methoxynaphthalene-2-carbonyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2489102
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2689731

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate (CID 2415715) is ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1O.
What is the InChIKey of ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is AVGBWLDVGONISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-4-24-18(23)16-11(3)19-10(2)15(16)14(21)9-25-17(22)12-7-5-6-8-13(12)20/h5-8,19-20H,4,9H2,1-3H3.
What are the key properties of ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate?
ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 345.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-hydroxybenzoyl)oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 2415715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).