9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

C23H23NO4 — CID 162426312

IUPAC9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
SMILESCCC1CCCc2c1n(Cc1cccc(C(=O)O)c1)c1c(C(=O)O)cccc21
InChIInChI=1S/C23H23NO4/c1-2-15-7-4-9-17-18-10-5-11-19(23(27)28)21(18)24(20(15)17)13-14-6-3-8-16(12-14)22(25)26/h3,5-6,8,10-12,15H,2,4,7,9,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyNQWLGOREXJHSNS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.92
Rot. Bonds5

About 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid

9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 162426312) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
PubChem CID162426312
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
SMILESCCC1CCCc2c1n(Cc1cccc(C(=O)O)c1)c1c(C(=O)O)cccc21
InChIInChI=1S/C23H23NO4/c1-2-15-7-4-9-17-18-10-5-11-19(23(27)28)21(18)24(20(15)17)13-14-6-3-8-16(12-14)22(25)26/h3,5-6,8,10-12,15H,2,4,7,9,13H2,1H3,(H,25,26)(H,27,28)
InChIKeyNQWLGOREXJHSNS-UHFFFAOYSA-N
XLogP4.92
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3-carboxyphenyl)methyl]-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid
CID 10405518
5-[(3-carbamoylphenyl)methyl]-10-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indole-4-carboxylic acid
CID 162426350
3-butyl-4-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
CID 162426267
methyl 9-[(3-cyanophenyl)methyl]-8-propyl-5,6,7,8-tetrahydrocarbazole-1-carboxylate
CID 170207345
9-[(4-chlorophenyl)methyl]-1-ethyl-8-methylsulfanyl-1,2,3,4-tetrahydrocarbazole
CID 71145961
9-[(3-methylphenyl)methyl]-6-oxo-7,8-dihydro-5H-carbazole-1-carboxylic acid
CID 84612345
9-benzyl-5-oxo-7,8-dihydro-6H-carbazole-1-carboxylic acid
CID 44564826
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
2-[(1R)-9-benzyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11674685
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
CID 83948271
2-[6,8-difluoro-9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372514

Frequently Asked Questions

What is the IUPAC name of 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid (CID 162426312) is 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid is CCC1CCCc2c1n(Cc1cccc(C(=O)O)c1)c1c(C(=O)O)cccc21.
What is the InChIKey of 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is NQWLGOREXJHSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-2-15-7-4-9-17-18-10-5-11-19(23(27)28)21(18)24(20(15)17)13-14-6-3-8-16(12-14)22(25)26/h3,5-6,8,10-12,15H,2,4,7,9,13H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid?
9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-carboxyphenyl)methyl]-8-ethyl-5,6,7,8-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 162426312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).