2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid

C12H9NO5 — CID 117369530

IUPAC2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
SMILESNC(C(=O)O)c1c2ccoc2c(O)c2ccoc12
InChIInChI=1S/C12H9NO5/c13-8(12(15)16)7-5-1-3-18-11(5)9(14)6-2-4-17-10(6)7/h1-4,8,14H,13H2,(H,15,16)
InChIKeyAOAXXPLQGNKGQG-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.97
Rot. Bonds2

About 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid

2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid (PubChem CID 117369530) has the molecular formula C12H9NO5 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
PubChem CID117369530
Molecular FormulaC12H9NO5
Molecular Weight247.21 g/mol
Exact Mass247.05
IUPAC Name2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
SMILESNC(C(=O)O)c1c2ccoc2c(O)c2ccoc12
InChIInChI=1S/C12H9NO5/c13-8(12(15)16)7-5-1-3-18-11(5)9(14)6-2-4-17-10(6)7/h1-4,8,14H,13H2,(H,15,16)
InChIKeyAOAXXPLQGNKGQG-UHFFFAOYSA-N
XLogP1.97
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

8-(1-hydroxypropan-2-yl)furo[2,3-f][1]benzofuran-4-ol
CID 117335933
8-[1-hydroxy-2-(methylamino)ethyl]furo[2,3-f][1]benzofuran-4-ol
CID 117369734
2-hydroxy-2-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117409627
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
3-amino-2-(4,6-difluoro-1-benzofuran-7-yl)propanoic acid
CID 117354378
2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
CID 84780586
2-amino-2-(2-ethylfuran-3-yl)acetic acid
CID 55295015
(2S)-2-amino-2-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)acetic acid
CID 66513035
8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol
CID 117329813
2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid
CID 117435453
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid (CID 117369530) is 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid is NC(C(=O)O)c1c2ccoc2c(O)c2ccoc12.
What is the InChIKey of 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The InChIKey is AOAXXPLQGNKGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5/c13-8(12(15)16)7-5-1-3-18-11(5)9(14)6-2-4-17-10(6)7/h1-4,8,14H,13H2,(H,15,16).
What are the key properties of 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid has a molecular weight of 247.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-hydroxyfuro[2,3-f][1]benzofuran-8-yl)acetic acid is sourced from PubChem (CID 117369530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).