3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid

C17H21NO2 — CID 82502019

IUPAC3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESCCc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1
InChIInChI=1S/C17H21NO2/c1-2-12-7-8-16-14(11-12)13-5-3-4-6-15(13)18(16)10-9-17(19)20/h7-8,11H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyGXTPWPSNNRGNAY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.56
Rot. Bonds4

About 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid

3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (PubChem CID 82502019) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
PubChem CID82502019
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid
SMILESCCc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1
InChIInChI=1S/C17H21NO2/c1-2-12-7-8-16-14(11-12)13-5-3-4-6-15(13)18(16)10-9-17(19)20/h7-8,11H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyGXTPWPSNNRGNAY-UHFFFAOYSA-N
XLogP3.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The IUPAC name of 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid (CID 82502019) is 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid.
What is the SMILES notation for 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The canonical SMILES for 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is CCc1ccc2c(c1)c1c(n2CCC(=O)O)CCCC1.
What is the InChIKey of 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
The InChIKey is GXTPWPSNNRGNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-2-12-7-8-16-14(11-12)13-5-3-4-6-15(13)18(16)10-9-17(19)20/h7-8,11H,2-6,9-10H2,1H3,(H,19,20).
What are the key properties of 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid?
3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid has a molecular weight of 271.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-ethyl-1,2,3,4-tetrahydrocarbazol-9-yl)propanoic acid is sourced from PubChem (CID 82502019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).