2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid

C20H18N2O4 — CID 159876035

IUPAC2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1ccc2cc(-c3ccc4c(c3)CCO4)ccc21
InChIInChI=1S/C20H18N2O4/c23-19(21-11-20(24)25)12-22-7-5-15-9-13(1-3-17(15)22)14-2-4-18-16(10-14)6-8-26-18/h1-5,7,9-10H,6,8,11-12H2,(H,21,23)(H,24,25)
InChIKeyNSXNOLYSYMCHBI-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.44
Rot. Bonds5

About 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid

2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid (PubChem CID 159876035) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid
PubChem CID159876035
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cn1ccc2cc(-c3ccc4c(c3)CCO4)ccc21
InChIInChI=1S/C20H18N2O4/c23-19(21-11-20(24)25)12-22-7-5-15-9-13(1-3-17(15)22)14-2-4-18-16(10-14)6-8-26-18/h1-5,7,9-10H,6,8,11-12H2,(H,21,23)(H,24,25)
InChIKeyNSXNOLYSYMCHBI-UHFFFAOYSA-N
XLogP2.44
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid with MolForge

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Related Compounds

N-ethyl-2-(5-methylindol-1-yl)acetamide
CID 116623028
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
2-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 113427707
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 49012669
2-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]acetic acid
CID 146134067
sodium 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4-oxobutanoate
CID 167799892
2-[[2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]acetyl]amino]-N-propylacetamide
CID 9127399
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 32891703
3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
CID 119758146
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
2-(5-methylindol-1-yl)-N-prop-2-enylacetamide
CID 116623020

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid (CID 159876035) is 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid is O=C(O)CNC(=O)Cn1ccc2cc(-c3ccc4c(c3)CCO4)ccc21.
What is the InChIKey of 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid?
The InChIKey is NSXNOLYSYMCHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(21-11-20(24)25)12-22-7-5-15-9-13(1-3-17(15)22)14-2-4-18-16(10-14)6-8-26-18/h1-5,7,9-10H,6,8,11-12H2,(H,21,23)(H,24,25).
What are the key properties of 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid?
2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid has a molecular weight of 350.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(2,3-dihydro-1-benzofuran-5-yl)indol-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 159876035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).