2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid

C13H13FINO3 — CID 119203567

IUPAC2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(F)ccc1I)C1CC1
InChIInChI=1S/C13H13FINO3/c1-7(13(18)19)16(9-3-4-9)12(17)10-6-8(14)2-5-11(10)15/h2,5-7,9H,3-4H2,1H3,(H,18,19)
InChIKeySJIYGXMGARBNFE-UHFFFAOYSA-N
MW377.15 g/mol
LogP2.51
Rot. Bonds4

About 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid

2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid (PubChem CID 119203567) has the molecular formula C13H13FINO3 and a molecular weight of 377.15 g/mol. Its IUPAC name is 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid
PubChem CID119203567
Molecular FormulaC13H13FINO3
Molecular Weight377.15 g/mol
Exact Mass376.99
IUPAC Name2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cc(F)ccc1I)C1CC1
InChIInChI=1S/C13H13FINO3/c1-7(13(18)19)16(9-3-4-9)12(17)10-6-8(14)2-5-11(10)15/h2,5-7,9H,3-4H2,1H3,(H,18,19)
InChIKeySJIYGXMGARBNFE-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclopropyl-(5-fluoro-2-nitrobenzoyl)amino]propanoic acid
CID 122067083
2-[(4-bromo-2-fluorobenzoyl)-cyclopropylamino]propanoic acid
CID 119203138
2-[cyclopropyl-(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoic acid
CID 119203139
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970
2-[cyclopropyl-[1-(2,4-difluorophenyl)pyrazole-3-carbonyl]amino]propanoic acid
CID 122067551
2-[cyclopropyl-[2-fluoro-4-(4-methoxyphenyl)benzoyl]amino]propanoic acid
CID 119202322
2-[cyclopropyl-(2-oxo-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 120519111
2-[2-(2-bromo-4-fluorophenoxy)propanoyl-cyclopropylamino]propanoic acid
CID 119203508
2-[cyclopropyl-[(E)-4-(4-fluorophenyl)but-3-enoyl]amino]propanoic acid
CID 119202497
2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
CID 119202793
2-[cyclopropyl-[2-[(3-fluorobenzoyl)amino]acetyl]amino]propanoic acid
CID 120519342
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid (CID 119203567) is 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cc(F)ccc1I)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid?
The InChIKey is SJIYGXMGARBNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FINO3/c1-7(13(18)19)16(9-3-4-9)12(17)10-6-8(14)2-5-11(10)15/h2,5-7,9H,3-4H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid?
2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid has a molecular weight of 377.15 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(5-fluoro-2-iodobenzoyl)amino]propanoic acid is sourced from PubChem (CID 119203567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).