2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid

C15H15NO4 — CID 117435453

IUPAC2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid
SMILESCc1cc2c(C(N)C(=O)O)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C15H15NO4/c1-6-4-9-8(3)13-10(5-7(2)19-13)11(14(9)20-6)12(16)15(17)18/h4-5,12H,16H2,1-3H3,(H,17,18)
InChIKeyXAXFTUCEWHADNP-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.19
Rot. Bonds2

About 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid

2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid (PubChem CID 117435453) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid
PubChem CID117435453
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid
SMILESCc1cc2c(C(N)C(=O)O)c3oc(C)cc3c(C)c2o1
InChIInChI=1S/C15H15NO4/c1-6-4-9-8(3)13-10(5-7(2)19-13)11(14(9)20-6)12(16)15(17)18/h4-5,12H,16H2,1-3H3,(H,17,18)
InChIKeyXAXFTUCEWHADNP-UHFFFAOYSA-N
XLogP3.19
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117473814
2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
CID 117401768
2,2-dimethyl-3-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 117484122
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068
2-amino-2-(3-hydroxy-2,4,6-trimethylphenyl)acetic acid
CID 84780586
1-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)cyclopropan-1-amine
CID 117391420
(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)methanesulfonyl chloride
CID 117497786
2-amino-2-(3-bromo-4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 84713750
2-amino-2-(3-bromo-6-hydroxy-2,4-dimethylphenyl)acetic acid
CID 84810252
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
2-amino-2-(5-bromo-3-hydroxy-2-methoxy-6-methylphenyl)acetic acid
CID 117468156
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309144

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid (CID 117435453) is 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid is Cc1cc2c(C(N)C(=O)O)c3oc(C)cc3c(C)c2o1.
What is the InChIKey of 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid?
The InChIKey is XAXFTUCEWHADNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-6-4-9-8(3)13-10(5-7(2)19-13)11(14(9)20-6)12(16)15(17)18/h4-5,12H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid?
2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid has a molecular weight of 273.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid is sourced from PubChem (CID 117435453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).