2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid

C12H10ClNO4 — CID 110488735

IUPAC2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1coc2ccc(Cl)cc12
InChIInChI=1S/C12H10ClNO4/c13-8-1-2-10-9(4-8)7(6-18-10)3-11(15)14-5-12(16)17/h1-2,4,6H,3,5H2,(H,14,15)(H,16,17)
InChIKeyZVLOFEJJKWRIBK-UHFFFAOYSA-N
MW267.67 g/mol
LogP1.83
Rot. Bonds4

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

2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid (PubChem CID 110488735) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid
PubChem CID110488735
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1coc2ccc(Cl)cc12
InChIInChI=1S/C12H10ClNO4/c13-8-1-2-10-9(4-8)7(6-18-10)3-11(15)14-5-12(16)17/h1-2,4,6H,3,5H2,(H,14,15)(H,16,17)
InChIKeyZVLOFEJJKWRIBK-UHFFFAOYSA-N
XLogP1.83
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid (CID 110488735) is 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1coc2ccc(Cl)cc12.
What is the InChIKey of 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid?
The InChIKey is ZVLOFEJJKWRIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c13-8-1-2-10-9(4-8)7(6-18-10)3-11(15)14-5-12(16)17/h1-2,4,6H,3,5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid?
2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid has a molecular weight of 267.67 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chloro-1-benzofuran-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 110488735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).