ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate

C17H20N2O3 — CID 607870

IUPACethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H20N2O3/c1-2-22-16(20)10-18-17(21)11-7-8-15-13(9-11)12-5-3-4-6-14(12)19-15/h7-9,19H,2-6,10H2,1H3,(H,18,21)
InChIKeyRCCFQVCDPJKLGH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.34
Rot. Bonds4

About ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate

ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate (PubChem CID 607870) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate
PubChem CID607870
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C17H20N2O3/c1-2-22-16(20)10-18-17(21)11-7-8-15-13(9-11)12-5-3-4-6-14(12)19-15/h7-9,19H,2-6,10H2,1H3,(H,18,21)
InChIKeyRCCFQVCDPJKLGH-UHFFFAOYSA-N
XLogP2.34
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate?
The IUPAC name of ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate (CID 607870) is ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate is CCOC(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate?
The InChIKey is RCCFQVCDPJKLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-16(20)10-18-17(21)11-7-8-15-13(9-11)12-5-3-4-6-14(12)19-15/h7-9,19H,2-6,10H2,1H3,(H,18,21).
What are the key properties of ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate?
ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate has a molecular weight of 300.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,7,8,9-tetrahydro-5H-carbazole-3-carbonylamino)acetate is sourced from PubChem (CID 607870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).