2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid

C26H29FN2O4 — CID 67426192

IUPAC2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
SMILESCCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N(C)C(=O)Cc1ccccc1OC)CC2
InChIInChI=1S/C26H29FN2O4/c1-4-21(26(31)32)29-22-11-9-17(27)14-19(22)20-15-18(10-12-23(20)29)28(2)25(30)13-16-7-5-6-8-24(16)33-3/h5-9,11,14,18,21H,4,10,12-13,15H2,1-3H3,(H,31,32)
InChIKeyJRHMIVHCQFIABV-UHFFFAOYSA-N
MW452.53 g/mol
LogP4.38
Rot. Bonds7

About 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid

2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid (PubChem CID 67426192) has the molecular formula C26H29FN2O4 and a molecular weight of 452.53 g/mol. Its IUPAC name is 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid.

Molecular Properties

Compound Name2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
PubChem CID67426192
Molecular FormulaC26H29FN2O4
Molecular Weight452.53 g/mol
Exact Mass452.21
IUPAC Name2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
SMILESCCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N(C)C(=O)Cc1ccccc1OC)CC2
InChIInChI=1S/C26H29FN2O4/c1-4-21(26(31)32)29-22-11-9-17(27)14-19(22)20-15-18(10-12-23(20)29)28(2)25(30)13-16-7-5-6-8-24(16)33-3/h5-9,11,14,18,21H,4,10,12-13,15H2,1-3H3,(H,31,32)
InChIKeyJRHMIVHCQFIABV-UHFFFAOYSA-N
XLogP4.38
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid 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 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The IUPAC name of 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid (CID 67426192) is 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid.
What is the SMILES notation for 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The canonical SMILES for 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid is CCC(C(=O)O)n1c2c(c3cc(F)ccc31)CC(N(C)C(=O)Cc1ccccc1OC)CC2.
What is the InChIKey of 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
The InChIKey is JRHMIVHCQFIABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O4/c1-4-21(26(31)32)29-22-11-9-17(27)14-19(22)20-15-18(10-12-23(20)29)28(2)25(30)13-16-7-5-6-8-24(16)33-3/h5-9,11,14,18,21H,4,10,12-13,15H2,1-3H3,(H,31,32).
What are the key properties of 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid?
2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid has a molecular weight of 452.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-3-[[2-(2-methoxyphenyl)acetyl]-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid is sourced from PubChem (CID 67426192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).