2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid

C24H24N2O4 — CID 70208431

IUPAC2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid
SMILESCCOC(C)(C(=O)O)c1ccc(OCCn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C24H24N2O4/c1-3-30-24(2,23(27)28)17-8-10-18(11-9-17)29-15-14-26-21-7-5-4-6-19(21)20-12-13-25-16-22(20)26/h4-13,16H,3,14-15H2,1-2H3,(H,27,28)
InChIKeySYZWGJXWYUJAPG-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.60
Rot. Bonds8

About 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid

2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid (PubChem CID 70208431) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid
PubChem CID70208431
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid
SMILESCCOC(C)(C(=O)O)c1ccc(OCCn2c3ccccc3c3ccncc32)cc1
InChIInChI=1S/C24H24N2O4/c1-3-30-24(2,23(27)28)17-8-10-18(11-9-17)29-15-14-26-21-7-5-4-6-19(21)20-12-13-25-16-22(20)26/h4-13,16H,3,14-15H2,1-2H3,(H,27,28)
InChIKeySYZWGJXWYUJAPG-UHFFFAOYSA-N
XLogP4.60
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid
CID 101399148
ethyl (2S)-2-ethoxy-3-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoate
CID 11729721
2-ethoxy-2-[4-(2-phenothiazin-10-ylethoxy)phenyl]propanoic acid
CID 142159585
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
2-[4-(2-carbazol-9-ylethoxy)phenyl]sulfanyl-2-methylbutanoic acid
CID 68953805
4-(4-carbazol-9-ylbutoxy)benzoic acid
CID 11631838
9-(2-phenylethyl)pyrido[3,4-b]indole
CID 162417840
2-butoxy-2-[4-(2-phenoxazin-10-ylethoxy)phenyl]propanoic acid
CID 70299031
(2S)-3-[4-(3-carbazol-9-ylpropoxy)phenyl]-2-ethoxypropanoic acid
CID 70120871
methyl N'-[4-(2-carbazol-9-ylethoxy)phenyl]carbamimidothioate
CID 44574729
butyl 4-[[4-(2-carbazol-9-ylethoxy)phenyl]diazenyl]benzoate
CID 15503762
2-[4-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)ethoxy]phenyl]-2-ethoxypropanamide
CID 139909373

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid?
The IUPAC name of 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid (CID 70208431) is 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid is CCOC(C)(C(=O)O)c1ccc(OCCn2c3ccccc3c3ccncc32)cc1.
What is the InChIKey of 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid?
The InChIKey is SYZWGJXWYUJAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-30-24(2,23(27)28)17-8-10-18(11-9-17)29-15-14-26-21-7-5-4-6-19(21)20-12-13-25-16-22(20)26/h4-13,16H,3,14-15H2,1-2H3,(H,27,28).
What are the key properties of 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid?
2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid has a molecular weight of 404.47 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-[4-(2-pyrido[3,4-b]indol-9-ylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 70208431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).