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

C14H12ClNO4 — CID 117473814

IUPAC2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid
SMILESCc1cc2c(C(N)C(=O)O)c3oc(C)cc3c(Cl)c2o1
InChIInChI=1S/C14H12ClNO4/c1-5-3-7-9(11(16)14(17)18)12-8(4-6(2)19-12)10(15)13(7)20-5/h3-4,11H,16H2,1-2H3,(H,17,18)
InChIKeyBOPKWBJUWDJSET-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.53
Rot. Bonds2

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

2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid (PubChem CID 117473814) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid
PubChem CID117473814
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid
SMILESCc1cc2c(C(N)C(=O)O)c3oc(C)cc3c(Cl)c2o1
InChIInChI=1S/C14H12ClNO4/c1-5-3-7-9(11(16)14(17)18)12-8(4-6(2)19-12)10(15)13(7)20-5/h3-4,11H,16H2,1-2H3,(H,17,18)
InChIKeyBOPKWBJUWDJSET-UHFFFAOYSA-N
XLogP3.53
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)acetic acid
CID 117435453
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 115010381
3-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 115010470
1-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)propan-2-ol
CID 115010389
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
4-amino-4-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)butanoic acid
CID 117479325
2-amino-2-(2,6,8-trimethylfuro[2,3-f][1]benzofuran-4-yl)ethanol
CID 117401768
2-amino-2-(2-chloro-6-hydroxy-4-methylphenyl)acetic acid
CID 84784304
methyl 2-(4-chloro-7-methoxy-2-methyl-1-benzofuran-5-yl)-2-hydroxyacetate
CID 117458145
2-amino-2-(7-chloro-2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 83898908
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid (CID 117473814) is 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid is Cc1cc2c(C(N)C(=O)O)c3oc(C)cc3c(Cl)c2o1.
What is the InChIKey of 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
The InChIKey is BOPKWBJUWDJSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-5-3-7-9(11(16)14(17)18)12-8(4-6(2)19-12)10(15)13(7)20-5/h3-4,11H,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid?
2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid has a molecular weight of 293.71 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)acetic acid is sourced from PubChem (CID 117473814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).