3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid

C35H26O4S7 — CID 121380606

IUPAC3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid
SMILESCc1ccc(-c2ccc(-c3cc(CCC(=O)O)c(-c4ccc(-c5sc(-c6ccc(-c7cccs7)s6)cc5CCC(=O)O)s4)s3)s2)s1
InChIInChI=1S/C35H26O4S7/c1-19-4-7-24(41-19)25-9-11-27(43-25)31-18-21(6-15-33(38)39)35(46-31)29-13-12-28(44-29)34-20(5-14-32(36)37)17-30(45-34)26-10-8-23(42-26)22-3-2-16-40-22/h2-4,7-13,16-18H,5-6,14-15H2,1H3,(H,36,37)(H,38,39)
InChIKeyDVMCJQSUUWWKLF-UHFFFAOYSA-N
MW735.06 g/mol
LogP12.46
Rot. Bonds12

About 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid

3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid (PubChem CID 121380606) has the molecular formula C35H26O4S7 and a molecular weight of 735.06 g/mol. Its IUPAC name is 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid
PubChem CID121380606
Molecular FormulaC35H26O4S7
Molecular Weight735.06 g/mol
Exact Mass733.99
IUPAC Name3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid
SMILESCc1ccc(-c2ccc(-c3cc(CCC(=O)O)c(-c4ccc(-c5sc(-c6ccc(-c7cccs7)s6)cc5CCC(=O)O)s4)s3)s2)s1
InChIInChI=1S/C35H26O4S7/c1-19-4-7-24(41-19)25-9-11-27(43-25)31-18-21(6-15-33(38)39)35(46-31)29-13-12-28(44-29)34-20(5-14-32(36)37)17-30(45-34)26-10-8-23(42-26)22-3-2-16-40-22/h2-4,7-13,16-18H,5-6,14-15H2,1H3,(H,36,37)(H,38,39)
InChIKeyDVMCJQSUUWWKLF-UHFFFAOYSA-N
XLogP12.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.06
LogP ≤ 512.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid with MolForge

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Related Compounds

2-[2-[5-[3-(2-aminoethyl)-5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]ethanamine;ethane
CID 143976151
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139364
bis(carbon dioxide);5-[5-[4-(carboxymethyl)-5-[5-[3-methyl-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 158329283
2-[2-[5-[3-(carboxymethyl)-5-(3-propan-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 90929560
4-[5-[4-(2-carboxyethyl)-5-[5-[3-(2-carboxyethyl)-5-[5-(4-carboxyphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]benzoic acid
CID 71231222
3-[2-[5-[3-(2-carboxyethyl)-5-[5-[4-(carboxymethyl)phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-[5-[4-(carboxymethyl)phenyl]thiophen-2-yl]thiophen-3-yl]propanoic acid
CID 71231198
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
5-[4-(carboxymethyl)-5-[4-(3-methyl-5-thiophen-2-ylthiophen-2-yl)phenyl]thiophen-2-yl]thiophene-2-carboxylic acid
CID 90139378
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
4-(5-thiophen-2-ylthiophen-2-yl)butanoic acid
CID 70912798
3-[2-[5-[5-[5-[4-(aminomethyl)phenyl]thiophen-2-yl]-3-(2-carboxyethyl)thiophen-2-yl]thiophen-2-yl]-5-[5-(4-ethylphenyl)thiophen-2-yl]thiophen-3-yl]propanoic acid
CID 121380623

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid?
The IUPAC name of 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid (CID 121380606) is 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid.
What is the SMILES notation for 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid?
The canonical SMILES for 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid is Cc1ccc(-c2ccc(-c3cc(CCC(=O)O)c(-c4ccc(-c5sc(-c6ccc(-c7cccs7)s6)cc5CCC(=O)O)s4)s3)s2)s1.
What is the InChIKey of 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid?
The InChIKey is DVMCJQSUUWWKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26O4S7/c1-19-4-7-24(41-19)25-9-11-27(43-25)31-18-21(6-15-33(38)39)35(46-31)29-13-12-28(44-29)34-20(5-14-32(36)37)17-30(45-34)26-10-8-23(42-26)22-3-2-16-40-22/h2-4,7-13,16-18H,5-6,14-15H2,1H3,(H,36,37)(H,38,39).
What are the key properties of 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid?
3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid has a molecular weight of 735.06 g/mol, XLogP of 12.46, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[3-(2-carboxyethyl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-(5-thiophen-2-ylthiophen-2-yl)thiophen-3-yl]propanoic acid is sourced from PubChem (CID 121380606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).