2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate

C21H19N2O6- — CID 54715393

IUPAC2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate
SMILESCCOC(=O)[C@@]1(C)C=C(Nc2ccc([O-])c(C(=O)O)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H20N2O6/c1-3-29-20(28)21(2)12-16(18(25)23(21)14-7-5-4-6-8-14)22-13-9-10-17(24)15(11-13)19(26)27/h4-12,22,24H,3H2,1-2H3,(H,26,27)/p-1/t21-/m1/s1
InChIKeyWMOMGLBWBZGINA-OAQYLSRUSA-M
MW395.39 g/mol
LogP2.12
Rot. Bonds6

About 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate

2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate (PubChem CID 54715393) has the molecular formula C21H19N2O6- and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate.

Molecular Properties

Compound Name2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate
PubChem CID54715393
Molecular FormulaC21H19N2O6-
Molecular Weight395.39 g/mol
Exact Mass395.12
IUPAC Name2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate
SMILESCCOC(=O)[C@@]1(C)C=C(Nc2ccc([O-])c(C(=O)O)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C21H20N2O6/c1-3-29-20(28)21(2)12-16(18(25)23(21)14-7-5-4-6-8-14)22-13-9-10-17(24)15(11-13)19(26)27/h4-12,22,24H,3H2,1-2H3,(H,26,27)/p-1/t21-/m1/s1
InChIKeyWMOMGLBWBZGINA-OAQYLSRUSA-M
XLogP2.12
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate 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-(4-chloroanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3540940
ethyl 4-(4-bromoanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 3327045
ethyl 4-(2-ethoxycarbonylanilino)-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2889021
ethyl (2R)-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 98459518
ethyl 3-bromo-4-hydroxy-2-methyl-5-oxo-1-phenylpyrrole-2-carboxylate
CID 2891433
ethyl 3,8-dioxo-4-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-2-carboxylate
CID 102338610
ethyl 3-methyl-1-phenylazetidine-3-carboxylate
CID 134994378
ethyl (2S,3E)-3-[(4-fluorophenyl)hydrazinylidene]-2-methyl-4,5-dioxo-1-phenylpyrrolidine-2-carboxylate
CID 7411921
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
ethyl 5-methyl-2,4-dioxo-3-phenyl-1,3-oxazolidine-5-carboxylate
CID 20530498
2-amino-5-[(2-methyl-3-pyridinyl)amino]benzoic acid
CID 79044019
ethyl 4,5-dioxo-1-phenylpyrazole-3-carboxylate
CID 23446953

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate?
The IUPAC name of 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate (CID 54715393) is 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate.
What is the SMILES notation for 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate?
The canonical SMILES for 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate is CCOC(=O)[C@@]1(C)C=C(Nc2ccc([O-])c(C(=O)O)c2)C(=O)N1c1ccccc1.
What is the InChIKey of 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate?
The InChIKey is WMOMGLBWBZGINA-OAQYLSRUSA-M. The full InChI is InChI=1S/C21H20N2O6/c1-3-29-20(28)21(2)12-16(18(25)23(21)14-7-5-4-6-8-14)22-13-9-10-17(24)15(11-13)19(26)27/h4-12,22,24H,3H2,1-2H3,(H,26,27)/p-1/t21-/m1/s1.
What are the key properties of 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate?
2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate has a molecular weight of 395.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-[[(5R)-5-ethoxycarbonyl-5-methyl-2-oxo-1-phenylpyrrol-3-yl]amino]phenolate is sourced from PubChem (CID 54715393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).