methyl 2-(2-amino-4-iodoanilino)acetate

C9H11IN2O2 — CID 66066838

IUPACmethyl 2-(2-amino-4-iodoanilino)acetate
SMILESCOC(=O)CNc1ccc(I)cc1N
InChIInChI=1S/C9H11IN2O2/c1-14-9(13)5-12-8-3-2-6(10)4-7(8)11/h2-4,12H,5,11H2,1H3
InChIKeyLAJLURNIVGPQMO-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.46
Rot. Bonds3

About methyl 2-(2-amino-4-iodoanilino)acetate

methyl 2-(2-amino-4-iodoanilino)acetate (PubChem CID 66066838) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is methyl 2-(2-amino-4-iodoanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4-iodoanilino)acetate
PubChem CID66066838
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Namemethyl 2-(2-amino-4-iodoanilino)acetate
SMILESCOC(=O)CNc1ccc(I)cc1N
InChIInChI=1S/C9H11IN2O2/c1-14-9(13)5-12-8-3-2-6(10)4-7(8)11/h2-4,12H,5,11H2,1H3
InChIKeyLAJLURNIVGPQMO-UHFFFAOYSA-N
XLogP1.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-iodoanilino)-N-methylacetamide
CID 66066263
methyl 2-(2-amino-4,5-dimethoxyanilino)acetate
CID 83001432
2-(2-amino-4-iodoanilino)-N-cyclopropylacetamide
CID 66066860
1-(2-amino-4-iodoanilino)-3-methoxypropan-2-ol
CID 66080338
methyl 2-(3-iodoanilino)acetate
CID 19829858
4-iodo-1-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 79558463
5-iodo-2-[(2-methoxy-2-oxoethyl)carbamoylamino]benzoic acid
CID 63111670
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
methyl 2-[(6-amino-2-methyl-1,3-benzothiazol-5-yl)amino]acetate
CID 43450468
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
1-N-[(E)-but-2-enyl]-4-iodobenzene-1,2-diamine
CID 131242821
methyl 2-(4-amino-3-methylanilino)acetate
CID 43436219

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4-iodoanilino)acetate?
The IUPAC name of methyl 2-(2-amino-4-iodoanilino)acetate (CID 66066838) is methyl 2-(2-amino-4-iodoanilino)acetate.
What is the SMILES notation for methyl 2-(2-amino-4-iodoanilino)acetate?
The canonical SMILES for methyl 2-(2-amino-4-iodoanilino)acetate is COC(=O)CNc1ccc(I)cc1N.
What is the InChIKey of methyl 2-(2-amino-4-iodoanilino)acetate?
The InChIKey is LAJLURNIVGPQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c1-14-9(13)5-12-8-3-2-6(10)4-7(8)11/h2-4,12H,5,11H2,1H3.
What are the key properties of methyl 2-(2-amino-4-iodoanilino)acetate?
methyl 2-(2-amino-4-iodoanilino)acetate has a molecular weight of 306.10 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4-iodoanilino)acetate is sourced from PubChem (CID 66066838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).