2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid

C16H19NO3 — CID 84641954

IUPAC2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
SMILESCOc1cc(C)c2[nH]c3c(c2c1)CC(CC(=O)O)CC3
InChIInChI=1S/C16H19NO3/c1-9-5-11(20-2)8-13-12-6-10(7-15(18)19)3-4-14(12)17-16(9)13/h5,8,10,17H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeyIPUJAJJTLNDWAJ-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.06
Rot. Bonds3

About 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid

2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid (PubChem CID 84641954) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
PubChem CID84641954
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
SMILESCOc1cc(C)c2[nH]c3c(c2c1)CC(CC(=O)O)CC3
InChIInChI=1S/C16H19NO3/c1-9-5-11(20-2)8-13-12-6-10(7-15(18)19)3-4-14(12)17-16(9)13/h5,8,10,17H,3-4,6-7H2,1-2H3,(H,18,19)
InChIKeyIPUJAJJTLNDWAJ-UHFFFAOYSA-N
XLogP3.06
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 84637748
2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
CID 84630860
3-formyl-5-methoxy-7-methyl-1H-indole-2-carboxylic acid
CID 84627395
(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanamine
CID 84631512
3-(5-methoxy-3,7-dimethyl-1H-indol-2-yl)butanoic acid
CID 84638582
6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 65332564
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557
2-[5-methoxy-7-methyl-2-(4-methylphenyl)-1H-indol-3-yl]acetic acid
CID 5207147
2-(3-oxo-1,2,4,5,6,7-hexahydroindazol-5-yl)acetic acid
CID 82399790
6-methoxy-N,8-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 84741634
2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
3-bromo-6-ethoxycarbonyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylic acid
CID 66604417

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
The IUPAC name of 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid (CID 84641954) is 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
The canonical SMILES for 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid is COc1cc(C)c2[nH]c3c(c2c1)CC(CC(=O)O)CC3.
What is the InChIKey of 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
The InChIKey is IPUJAJJTLNDWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-9-5-11(20-2)8-13-12-6-10(7-15(18)19)3-4-14(12)17-16(9)13/h5,8,10,17H,3-4,6-7H2,1-2H3,(H,18,19).
What are the key properties of 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid has a molecular weight of 273.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid is sourced from PubChem (CID 84641954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).