3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid

C11H15NO4 — CID 44718680

IUPAC3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid
SMILESCCOC(=O)c1cc(CCC(=O)O)c(C)[nH]1
InChIInChI=1S/C11H15NO4/c1-3-16-11(15)9-6-8(7(2)12-9)4-5-10(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyZPCVANZNZXZRBI-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.52
Rot. Bonds5

About 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid

3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid (PubChem CID 44718680) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid
PubChem CID44718680
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid
SMILESCCOC(=O)c1cc(CCC(=O)O)c(C)[nH]1
InChIInChI=1S/C11H15NO4/c1-3-16-11(15)9-6-8(7(2)12-9)4-5-10(13)14/h6,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyZPCVANZNZXZRBI-UHFFFAOYSA-N
XLogP1.52
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid 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-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
ethyl 4-(2-ethoxy-2-oxoethyl)-5-(3-ethoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
CID 23265960
3-(4-ethoxycarbonyl-2-formyl-5-methyl-1H-pyrrol-3-yl)propanoic acid
CID 54569391
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
3-(4-ethoxycarbonyl-2-methoxyphenyl)propanoic acid
CID 134641089
3-(3-ethoxycarbonyl-2-methylsulfanylphenyl)propanoic acid
CID 134642602
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
3-[3-(bromomethyl)-2-ethoxycarbonylphenyl]propanoic acid
CID 134648712
ethyl 5-acetyl-2-methyl-1H-pyrrole-3-carboxylate
CID 25219910
ethyl 1H-imidazole-5-carboxylate;molecular hydrogen
CID 164601521
diethyl 5-ethyl-1H-pyrrole-2,4-dicarboxylate
CID 121015696

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid?
The IUPAC name of 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid (CID 44718680) is 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid.
What is the SMILES notation for 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid?
The canonical SMILES for 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid is CCOC(=O)c1cc(CCC(=O)O)c(C)[nH]1.
What is the InChIKey of 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid?
The InChIKey is ZPCVANZNZXZRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-3-16-11(15)9-6-8(7(2)12-9)4-5-10(13)14/h6,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid?
3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxycarbonyl-2-methyl-1H-pyrrol-3-yl)propanoic acid is sourced from PubChem (CID 44718680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).