2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid

C23H23NO6 — CID 45280221

IUPAC2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid
SMILESCC(Oc1ccc2c(c1)OCC21CN(C(=O)[C@H]2CCCO2)c2ccccc21)C(=O)O
InChIInChI=1S/C23H23NO6/c1-14(22(26)27)30-15-8-9-17-20(11-15)29-13-23(17)12-24(18-6-3-2-5-16(18)23)21(25)19-7-4-10-28-19/h2-3,5-6,8-9,11,14,19H,4,7,10,12-13H2,1H3,(H,26,27)/t14?,19-,23?/m1/s1
InChIKeyQWLMKPIGVNEKTK-JIMJETOSSA-N
MW409.44 g/mol
LogP2.74
Rot. Bonds4

About 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid

2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid (PubChem CID 45280221) has the molecular formula C23H23NO6 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid
PubChem CID45280221
Molecular FormulaC23H23NO6
Molecular Weight409.44 g/mol
Exact Mass409.15
IUPAC Name2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid
SMILESCC(Oc1ccc2c(c1)OCC21CN(C(=O)[C@H]2CCCO2)c2ccccc21)C(=O)O
InChIInChI=1S/C23H23NO6/c1-14(22(26)27)30-15-8-9-17-20(11-15)29-13-23(17)12-24(18-6-3-2-5-16(18)23)21(25)19-7-4-10-28-19/h2-3,5-6,8-9,11,14,19H,4,7,10,12-13H2,1H3,(H,26,27)/t14?,19-,23?/m1/s1
InChIKeyQWLMKPIGVNEKTK-JIMJETOSSA-N
XLogP2.74
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic 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-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid?
The IUPAC name of 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid (CID 45280221) is 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid.
What is the SMILES notation for 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid?
The canonical SMILES for 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid is CC(Oc1ccc2c(c1)OCC21CN(C(=O)[C@H]2CCCO2)c2ccccc21)C(=O)O.
What is the InChIKey of 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid?
The InChIKey is QWLMKPIGVNEKTK-JIMJETOSSA-N. The full InChI is InChI=1S/C23H23NO6/c1-14(22(26)27)30-15-8-9-17-20(11-15)29-13-23(17)12-24(18-6-3-2-5-16(18)23)21(25)19-7-4-10-28-19/h2-3,5-6,8-9,11,14,19H,4,7,10,12-13H2,1H3,(H,26,27)/t14?,19-,23?/m1/s1.
What are the key properties of 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid?
2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid has a molecular weight of 409.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-[(2R)-oxolane-2-carbonyl]spiro[2H-1-benzofuran-3,3'-2H-indole]-6-yl]oxypropanoic acid is sourced from PubChem (CID 45280221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).