2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

C24H26N2O4 — CID 54585608

IUPAC2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1
InChIInChI=1S/C24H26N2O4/c1-25(23(27)13-16-7-10-18(30-2)11-8-16)17-9-12-22-20(14-24(28)29)19-5-3-4-6-21(19)26(22)15-17/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeyLSYURNQYRBPGDT-QGZVFWFLSA-N
MW406.48 g/mol
LogP3.29
Rot. Bonds6

About 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid

2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (PubChem CID 54585608) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.

Molecular Properties

Compound Name2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
PubChem CID54585608
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1
InChIInChI=1S/C24H26N2O4/c1-25(23(27)13-16-7-10-18(30-2)11-8-16)17-9-12-22-20(14-24(28)29)19-5-3-4-6-21(19)26(22)15-17/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,28,29)/t17-/m1/s1
InChIKeyLSYURNQYRBPGDT-QGZVFWFLSA-N
XLogP3.29
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic 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-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The IUPAC name of 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid (CID 54585608) is 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid.
What is the SMILES notation for 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The canonical SMILES for 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is COc1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(=O)O)c4ccccc4n3C2)cc1.
What is the InChIKey of 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
The InChIKey is LSYURNQYRBPGDT-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-25(23(27)13-16-7-10-18(30-2)11-8-16)17-9-12-22-20(14-24(28)29)19-5-3-4-6-21(19)26(22)15-17/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,28,29)/t17-/m1/s1.
What are the key properties of 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid?
2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid has a molecular weight of 406.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-7-[[2-(4-methoxyphenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid is sourced from PubChem (CID 54585608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).