4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid

C13H14INO4 — CID 66235348

IUPAC4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccccc1I)C1COCC1C(=O)O
InChIInChI=1S/C13H14INO4/c1-15(11-7-19-6-9(11)13(17)18)12(16)8-4-2-3-5-10(8)14/h2-5,9,11H,6-7H2,1H3,(H,17,18)
InChIKeyOEYHVJSNKVREJH-UHFFFAOYSA-N
MW375.16 g/mol
LogP1.46
Rot. Bonds3

About 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid

4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66235348) has the molecular formula C13H14INO4 and a molecular weight of 375.16 g/mol. Its IUPAC name is 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66235348
Molecular FormulaC13H14INO4
Molecular Weight375.16 g/mol
Exact Mass375.00
IUPAC Name4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1ccccc1I)C1COCC1C(=O)O
InChIInChI=1S/C13H14INO4/c1-15(11-7-19-6-9(11)13(17)18)12(16)8-4-2-3-5-10(8)14/h2-5,9,11H,6-7H2,1H3,(H,17,18)
InChIKeyOEYHVJSNKVREJH-UHFFFAOYSA-N
XLogP1.46
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[(2-hydroxy-3,5-diiodobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237753
4-[(2-bromofuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 106851090
4-[furan-2-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66237142
4-[(2,5-dimethylfuran-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66236338
4-[(4-chloro-2-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
CID 66237354
4-[[4-(dimethylamino)benzoyl]-methylamino]oxolane-3-carboxylic acid
CID 66235943
4-[(2,5-dichlorothiophene-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 107959663
4-[1H-imidazole-5-carbonyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238171
4-[methyl-(4-methylsulfanylbenzoyl)amino]oxolane-3-carboxylic acid
CID 66236756
4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
N-(2-bromocyclohexyl)-2-iodo-N-methylbenzamide
CID 102638355

Frequently Asked Questions

What is the IUPAC name of 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid (CID 66235348) is 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid is CN(C(=O)c1ccccc1I)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is OEYHVJSNKVREJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO4/c1-15(11-7-19-6-9(11)13(17)18)12(16)8-4-2-3-5-10(8)14/h2-5,9,11H,6-7H2,1H3,(H,17,18).
What are the key properties of 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 375.16 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-iodobenzoyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66235348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).