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

C15H17NO2 — CID 84630860

IUPAC2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
SMILESCc1cccc2c3c([nH]c12)CCC(CC(=O)O)C3
InChIInChI=1S/C15H17NO2/c1-9-3-2-4-11-12-7-10(8-14(17)18)5-6-13(12)16-15(9)11/h2-4,10,16H,5-8H2,1H3,(H,17,18)
InChIKeyBPEMEDXZYZKZJG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.06
Rot. Bonds2

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

2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid (PubChem CID 84630860) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
PubChem CID84630860
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid
SMILESCc1cccc2c3c([nH]c12)CCC(CC(=O)O)C3
InChIInChI=1S/C15H17NO2/c1-9-3-2-4-11-12-7-10(8-14(17)18)5-6-13(12)16-15(9)11/h2-4,10,16H,5-8H2,1H3,(H,17,18)
InChIKeyBPEMEDXZYZKZJG-UHFFFAOYSA-N
XLogP3.06
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
The IUPAC name of 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid (CID 84630860) is 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid.
What is the SMILES notation for 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
The canonical SMILES for 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid is Cc1cccc2c3c([nH]c12)CCC(CC(=O)O)C3.
What is the InChIKey of 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
The InChIKey is BPEMEDXZYZKZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-9-3-2-4-11-12-7-10(8-14(17)18)5-6-13(12)16-15(9)11/h2-4,10,16H,5-8H2,1H3,(H,17,18).
What are the key properties of 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid?
2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid has a molecular weight of 243.31 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetic acid is sourced from PubChem (CID 84630860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).