2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid

C11H12INO5 — CID 114103306

IUPAC2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(I)c(O)c1)C(=O)O
InChIInChI=1S/C11H12INO5/c1-11(18,10(16)17)5-13-9(15)6-2-3-7(12)8(14)4-6/h2-4,14,18H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyTYYXBKXEADXPGB-UHFFFAOYSA-N
MW365.12 g/mol
LogP0.56
Rot. Bonds4

About 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid (PubChem CID 114103306) has the molecular formula C11H12INO5 and a molecular weight of 365.12 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid
PubChem CID114103306
Molecular FormulaC11H12INO5
Molecular Weight365.12 g/mol
Exact Mass364.98
IUPAC Name2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1ccc(I)c(O)c1)C(=O)O
InChIInChI=1S/C11H12INO5/c1-11(18,10(16)17)5-13-9(15)6-2-3-7(12)8(14)4-6/h2-4,14,18H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyTYYXBKXEADXPGB-UHFFFAOYSA-N
XLogP0.56
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-[(3-hydroxy-4-iodobenzoyl)amino]-3-methylbutanoic acid
CID 114103303
1,1-difluoro-2-[(3-hydroxy-4-iodobenzoyl)amino]ethanesulfonic acid
CID 167388367
3-[(2-chloropyridine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104877898
3-[(4-chloro-3-fluorobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 107997969
3-[(6-bromonaphthalene-2-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 115353673
N-hexyl-3-hydroxy-4-iodobenzamide
CID 104627562
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
3-(1,3-benzodioxole-5-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66172397
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403
3-[(4-acetamidobenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174171
3-hydroxy-4-iodo-N-(4,4,4-trifluorobutyl)benzamide
CID 104629259
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid (CID 114103306) is 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid is CC(O)(CNC(=O)c1ccc(I)c(O)c1)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid?
The InChIKey is TYYXBKXEADXPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO5/c1-11(18,10(16)17)5-13-9(15)6-2-3-7(12)8(14)4-6/h2-4,14,18H,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid has a molecular weight of 365.12 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-hydroxy-4-iodobenzoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 114103306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).