3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid

C33H40N4O4 — CID 177403983

IUPAC3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
SMILESCC1=N/C(=C\c2[nH]c(C)c(CCC(=O)O)c2C)C(C)=C1CC1=C(C)/C(=C\c2[nH]c(C)c(CCC(=O)O)c2C)N=C1C
InChIInChI=1S/C33H40N4O4/c1-16-24(9-11-32(38)39)20(5)34-28(16)14-30-18(3)26(22(7)36-30)13-27-19(4)31(37-23(27)8)15-29-17(2)25(21(6)35-29)10-12-33(40)41/h14-15,34-35H,9-13H2,1-8H3,(H,38,39)(H,40,41)/b30-14-,31-15+
InChIKeyGZMWOMUVYXIDFW-WPOGOJNASA-N
MW556.71 g/mol
LogP6.96
Rot. Bonds10

About 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid

3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid (PubChem CID 177403983) has the molecular formula C33H40N4O4 and a molecular weight of 556.71 g/mol. Its IUPAC name is 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
PubChem CID177403983
Molecular FormulaC33H40N4O4
Molecular Weight556.71 g/mol
Exact Mass556.30
IUPAC Name3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid
SMILESCC1=N/C(=C\c2[nH]c(C)c(CCC(=O)O)c2C)C(C)=C1CC1=C(C)/C(=C\c2[nH]c(C)c(CCC(=O)O)c2C)N=C1C
InChIInChI=1S/C33H40N4O4/c1-16-24(9-11-32(38)39)20(5)34-28(16)14-30-18(3)26(22(7)36-30)13-27-19(4)31(37-23(27)8)15-29-17(2)25(21(6)35-29)10-12-33(40)41/h14-15,34-35H,9-13H2,1-8H3,(H,38,39)(H,40,41)/b30-14-,31-15+
InChIKeyGZMWOMUVYXIDFW-WPOGOJNASA-N
XLogP6.96
TPSA130.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.71
LogP ≤ 56.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-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

methyl 3-[(5Z)-5-[(3,4-dimethyl-5-(113C)methyl-1H-pyrrol-2-yl)methylidene]-2-[[3-(3-methoxy-3-oxopropyl)-4-methyl-5-[(Z)-(3,4,5-trimethylpyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methylpyrrol-3-yl]propanoate
CID 138962847
2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-3,4,5-trimethylpyrrole;hydrobromide
CID 132760546
methyl 3-[(2Z)-5-[[(5E)-3-(2-chloroethyl)-5-[[4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-methylpyrrol-2-yl]methyl]-2-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 46222496
(5Z)-2,3,4-trimethyl-5-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 15857952
(5Z)-2-[[3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrol-2-yl]methyl]-3,4-diethyl-5-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 139120696
3-[2,4-dimethyl-5-[(4-methyl-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CID 69032764
(2Z)-2-[(5-bromo-3-ethyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole
CID 138962845
methyl 3-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,4-dimethylpyrrol-3-yl]propanoate
CID 11667758
3-[2,4-dimethyl-5-[(Z)-(2-oxo-6-phenyl-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
CID 5329150
3-[7-(2-carboxyethyl)-3,8,12,13,17,18-hexamethyl-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoic acid
CID 11800693
3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
CID 6508737
benzyl 4-ethyl-5-[(Z)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrole-2-carboxylate
CID 177499435

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid?
The IUPAC name of 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid (CID 177403983) is 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid is CC1=N/C(=C\c2[nH]c(C)c(CCC(=O)O)c2C)C(C)=C1CC1=C(C)/C(=C\c2[nH]c(C)c(CCC(=O)O)c2C)N=C1C.
What is the InChIKey of 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid?
The InChIKey is GZMWOMUVYXIDFW-WPOGOJNASA-N. The full InChI is InChI=1S/C33H40N4O4/c1-16-24(9-11-32(38)39)20(5)34-28(16)14-30-18(3)26(22(7)36-30)13-27-19(4)31(37-23(27)8)15-29-17(2)25(21(6)35-29)10-12-33(40)41/h14-15,34-35H,9-13H2,1-8H3,(H,38,39)(H,40,41)/b30-14-,31-15+.
What are the key properties of 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid?
3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid has a molecular weight of 556.71 g/mol, XLogP of 6.96, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(Z)-[4-[[(5E)-5-[[4-(2-carboxyethyl)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]methyl]-3,5-dimethylpyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]propanoic acid is sourced from PubChem (CID 177403983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).