2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid

C12H11NO4 — CID 110466008

IUPAC2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1coc2ccccc12
InChIInChI=1S/C12H11NO4/c14-11(13-6-12(15)16)5-8-7-17-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,13,14)(H,15,16)
InChIKeyIFPVBBXKOBIQCV-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.18
Rot. Bonds4

About 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid

2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid (PubChem CID 110466008) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
PubChem CID110466008
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1coc2ccccc12
InChIInChI=1S/C12H11NO4/c14-11(13-6-12(15)16)5-8-7-17-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,13,14)(H,15,16)
InChIKeyIFPVBBXKOBIQCV-UHFFFAOYSA-N
XLogP1.18
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
2-(1-benzofuran-3-yl)-N-pentylacetamide
CID 110485830
2-(1-benzofuran-3-yl)-N-[2-(diethylamino)ethyl]acetamide
CID 110463889
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
2-(1-benzofuran-3-yl)-N-cyclopentylacetamide
CID 110848759
2-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]acetic acid
CID 108797411
N-[2-(benzylamino)-2-oxoethyl]-2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetamide
CID 46462194
2-(1-benzofuran-3-ylmethylcarbamoyl)butanoic acid
CID 115185994
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid (CID 110466008) is 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1coc2ccccc12.
What is the InChIKey of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid?
The InChIKey is IFPVBBXKOBIQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-11(13-6-12(15)16)5-8-7-17-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid?
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid has a molecular weight of 233.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110466008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).