2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid

C10H10I2N2O3 — CID 118145991

IUPAC2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid
SMILESNc1c(I)cc(I)cc1C(=O)CC(N)C(=O)O
InChIInChI=1S/C10H10I2N2O3/c11-4-1-5(9(14)6(12)2-4)8(15)3-7(13)10(16)17/h1-2,7H,3,13-14H2,(H,16,17)
InChIKeyJUXZEIIUXRHHHY-UHFFFAOYSA-N
MW460.01 g/mol
LogP1.46
Rot. Bonds4

About 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid

2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid (PubChem CID 118145991) has the molecular formula C10H10I2N2O3 and a molecular weight of 460.01 g/mol. Its IUPAC name is 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid
PubChem CID118145991
Molecular FormulaC10H10I2N2O3
Molecular Weight460.01 g/mol
Exact Mass459.88
IUPAC Name2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid
SMILESNc1c(I)cc(I)cc1C(=O)CC(N)C(=O)O
InChIInChI=1S/C10H10I2N2O3/c11-4-1-5(9(14)6(12)2-4)8(15)3-7(13)10(16)17/h1-2,7H,3,13-14H2,(H,16,17)
InChIKeyJUXZEIIUXRHHHY-UHFFFAOYSA-N
XLogP1.46
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.01
LogP ≤ 51.46
H-Bond Donors ≤ 53
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-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 142647558
2-amino-4-(2-amino-4-methylphenyl)-4-oxobutanoic acid
CID 145273559
(2S)-2-amino-4-(2,5-dichlorothiophen-3-yl)-4-oxobutanoic acid
CID 106702681
(2S)-2-amino-4-(2-amino-4-chloro-3,5,6-trideuteriophenyl)-4-oxobutanoic acid
CID 140931102
(2S)-2-amino-4-fluoropent-4-enoic acid
CID 11240496
(2S)-4-amino-4-oxo-2-[(2,3,5-triiodobenzoyl)amino]butanoic acid
CID 63714723
3-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 85057067
(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
CID 94771214
(2S)-2-amino-4-(2-amino-6-bromo-4-chlorophenyl)-4-oxobutanoic acid
CID 18656062
(2S)-2-amino-4-(2-amino-6-bromo-4-fluorophenyl)-4-oxobutanoic acid
CID 18656063
2-(2,2-dimethylbutanoyloxy)ethyl 2-amino-3,5-diiodobenzoate
CID 154589793
(2S)-2-amino-4-(6-amino-1H-indazol-3-yl)-4-oxobutanoic acid
CID 174979489

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid (CID 118145991) is 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid is Nc1c(I)cc(I)cc1C(=O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid?
The InChIKey is JUXZEIIUXRHHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10I2N2O3/c11-4-1-5(9(14)6(12)2-4)8(15)3-7(13)10(16)17/h1-2,7H,3,13-14H2,(H,16,17).
What are the key properties of 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid?
2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid has a molecular weight of 460.01 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-amino-3,5-diiodophenyl)-4-oxobutanoic acid is sourced from PubChem (CID 118145991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).