(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid

C9H8INO3 — CID 130778504

IUPAC(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESN[C@H]1COc2cc(I)cc(C(=O)O)c21
InChIInChI=1S/C9H8INO3/c10-4-1-5(9(12)13)8-6(11)3-14-7(8)2-4/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1
InChIKeyAQNUVGNQXRHBJI-LURJTMIESA-N
MW305.07 g/mol
LogP1.38
Rot. Bonds1

About (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid

(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid (PubChem CID 130778504) has the molecular formula C9H8INO3 and a molecular weight of 305.07 g/mol. Its IUPAC name is (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid
PubChem CID130778504
Molecular FormulaC9H8INO3
Molecular Weight305.07 g/mol
Exact Mass304.95
IUPAC Name(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid
SMILESN[C@H]1COc2cc(I)cc(C(=O)O)c21
InChIInChI=1S/C9H8INO3/c10-4-1-5(9(12)13)8-6(11)3-14-7(8)2-4/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1
InChIKeyAQNUVGNQXRHBJI-LURJTMIESA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(3R)-3-amino-6-chloro-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 131173106
(3R)-3-amino-6-fluoro-2,3-dihydro-1-benzofuran-4-carboxylic acid
CID 131128284
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130673906
(3S)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-ol
CID 130615232
(3S)-3-amino-4-iodo-2,3-dihydro-1-benzofuran-7-carboxylic acid
CID 131123038
(3R)-3-amino-4-fluoro-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 55271064
(3S)-3-amino-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 55294350
methyl (3S)-3-amino-2,3-dihydro-1-benzofuran-4-carboxylate
CID 130722266
6-ethoxy-4-iodo-2,3-dihydro-1-benzofuran-3-amine
CID 130054134
(3R)-4-iodo-6-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 131002588
(3S)-3-amino-6-bromo-2,3-dihydro-1-benzofuran-4-ol
CID 131101542
4,6-difluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 75480738

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The IUPAC name of (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid (CID 130778504) is (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid.
What is the SMILES notation for (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The canonical SMILES for (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid is N[C@H]1COc2cc(I)cc(C(=O)O)c21.
What is the InChIKey of (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid?
The InChIKey is AQNUVGNQXRHBJI-LURJTMIESA-N. The full InChI is InChI=1S/C9H8INO3/c10-4-1-5(9(12)13)8-6(11)3-14-7(8)2-4/h1-2,6H,3,11H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid?
(3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid has a molecular weight of 305.07 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-iodo-2,3-dihydro-1-benzofuran-4-carboxylic acid is sourced from PubChem (CID 130778504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).