2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid

C11H12INO5 — CID 107731415

IUPAC2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1cc(I)ccc1O)C(=O)O
InChIInChI=1S/C11H12INO5/c1-18-5-8(11(16)17)13-10(15)7-4-6(12)2-3-9(7)14/h2-4,8,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyJJLLBGLEQZVEMF-UHFFFAOYSA-N
MW365.12 g/mol
LogP0.83
Rot. Bonds5

About 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid

2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid (PubChem CID 107731415) has the molecular formula C11H12INO5 and a molecular weight of 365.12 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
PubChem CID107731415
Molecular FormulaC11H12INO5
Molecular Weight365.12 g/mol
Exact Mass364.98
IUPAC Name2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)c1cc(I)ccc1O)C(=O)O
InChIInChI=1S/C11H12INO5/c1-18-5-8(11(16)17)13-10(15)7-4-6(12)2-3-9(7)14/h2-4,8,14H,5H2,1H3,(H,13,15)(H,16,17)
InChIKeyJJLLBGLEQZVEMF-UHFFFAOYSA-N
XLogP0.83
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N-(4-methoxybutan-2-yl)benzamide
CID 113229831
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
2-[(4-chloro-2-hydroxybenzoyl)amino]-3-methoxypropanoic acid
CID 81076526
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-hydroxy-5-iodobenzamide
CID 107731519
2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
2-[(4-iodophenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81085093
2-[(2-hydroxy-5-iodobenzoyl)amino]-2-phenylacetic acid
CID 107731230
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
2-hydroxy-5-iodo-N-(6-methylheptan-2-yl)benzamide
CID 103600384
3-methoxy-2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 81077472
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid (CID 107731415) is 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid is COCC(NC(=O)c1cc(I)ccc1O)C(=O)O.
What is the InChIKey of 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid?
The InChIKey is JJLLBGLEQZVEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO5/c1-18-5-8(11(16)17)13-10(15)7-4-6(12)2-3-9(7)14/h2-4,8,14H,5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid?
2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid has a molecular weight of 365.12 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-iodobenzoyl)amino]-3-methoxypropanoic acid is sourced from PubChem (CID 107731415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).