3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid

C24H25N3O4 — CID 137139699

IUPAC3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid
SMILESC=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O
InChIInChI=1S/C24H25N3O4/c1-6-15-12(3)18(10-19-14(5)17(24(31)27-19)8-9-22(28)29)25-21(15)11-20-13(4)16(7-2)23(30)26-20/h6-7,10-11,25,27,31H,1-2,8-9H2,3-5H3,(H,28,29)/b18-10-,21-11-
InChIKeyTYJWXPAMTZVMCC-OFEFNGSWSA-N
MW419.48 g/mol
LogP2.42
Rot. Bonds7

About 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid

3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid (PubChem CID 137139699) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid
PubChem CID137139699
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid
SMILESC=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O
InChIInChI=1S/C24H25N3O4/c1-6-15-12(3)18(10-19-14(5)17(24(31)27-19)8-9-22(28)29)25-21(15)11-20-13(4)16(7-2)23(30)26-20/h6-7,10-11,25,27,31H,1-2,8-9H2,3-5H3,(H,28,29)/b18-10-,21-11-
InChIKeyTYJWXPAMTZVMCC-OFEFNGSWSA-N
XLogP2.42
TPSA118.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid with MolForge

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Related Compounds

3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
CID 66588767
3-[(2E)-2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
CID 171340530
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid;hydrochloride
CID 87314054
3-[(2E,5E)-2-[[3-(2-carboxylatoethyl)-5-hydroxy-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 135854131
3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid;hydron;dichloride
CID 74764765
3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-4-methyl-5-oxopyrrol-2-yl]methylidene]-5-[(3-ethenyl-5-hydroxy-4-methyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
CID 175863525
3-[5-[[5-[(Z)-[(5Z)-5-[[4-(2-carboxyethyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-3-ethenyl-4-methylpyrrol-2-ylidene]methyl]-3-ethenyl-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxopyrrol-3-yl]propanoic acid
CID 165360225
3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
CID 24970018
3-[(2Z,5Z)-2-[[3-(2-carboxylatoethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 25245769
methyl 3-[(5Z)-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
CID 11981370
methyl 3-[5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-2-[[5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methyl-3-propylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate
CID 174144554
3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid;3,6-didecylbenzene-1,2-dicarbonitrile;hydrochloride
CID 173115420

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid?
The IUPAC name of 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid (CID 137139699) is 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid?
The canonical SMILES for 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid is C=CC1=C(C)C(/C=c2\[nH]/c(=C\c3[nH]c(O)c(CCC(=O)O)c3C)c(C)c2C=C)=NC1=O.
What is the InChIKey of 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid?
The InChIKey is TYJWXPAMTZVMCC-OFEFNGSWSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-6-15-12(3)18(10-19-14(5)17(24(31)27-19)8-9-22(28)29)25-21(15)11-20-13(4)16(7-2)23(30)26-20/h6-7,10-11,25,27,31H,1-2,8-9H2,3-5H3,(H,28,29)/b18-10-,21-11-.
What are the key properties of 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid?
3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid has a molecular weight of 419.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-2-hydroxy-4-methyl-1H-pyrrol-3-yl]propanoic acid is sourced from PubChem (CID 137139699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).