3-[(4-iodobenzoyl)amino]butanoic acid

C11H12INO3 — CID 43240598

IUPAC3-[(4-iodobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H12INO3/c1-7(6-10(14)15)13-11(16)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyRGMRDBUUZOWEMA-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.88
Rot. Bonds4

About 3-[(4-iodobenzoyl)amino]butanoic acid

3-[(4-iodobenzoyl)amino]butanoic acid (PubChem CID 43240598) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 3-[(4-iodobenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-iodobenzoyl)amino]butanoic acid
PubChem CID43240598
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Name3-[(4-iodobenzoyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(I)cc1
InChIInChI=1S/C11H12INO3/c1-7(6-10(14)15)13-11(16)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,16)(H,14,15)
InChIKeyRGMRDBUUZOWEMA-UHFFFAOYSA-N
XLogP1.88
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-fluorobenzoyl)amino]butanoic acid
CID 43240591
3-[(4-tert-butylbenzoyl)amino]butanoic acid
CID 18370033
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
N-(1-ethoxypropan-2-yl)-4-iodobenzamide
CID 47903616
N-[4-(4-iodophenyl)butan-2-yl]benzamide
CID 132547584
3-[(2-hydroxy-5-iodobenzoyl)amino]butanoic acid
CID 107731245
(3R)-3-[[4-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 9454173
3-[[4-(difluoromethylsulfanyl)benzoyl]amino]butanoic acid
CID 119221139
(3R)-3-[[4-(ethylsulfamoylamino)benzoyl]amino]butanoic acid
CID 166388078
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodobenzoyl)amino]butanoic acid?
The IUPAC name of 3-[(4-iodobenzoyl)amino]butanoic acid (CID 43240598) is 3-[(4-iodobenzoyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-iodobenzoyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-iodobenzoyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(I)cc1.
What is the InChIKey of 3-[(4-iodobenzoyl)amino]butanoic acid?
The InChIKey is RGMRDBUUZOWEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3/c1-7(6-10(14)15)13-11(16)8-2-4-9(12)5-3-8/h2-5,7H,6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 3-[(4-iodobenzoyl)amino]butanoic acid?
3-[(4-iodobenzoyl)amino]butanoic acid has a molecular weight of 333.13 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodobenzoyl)amino]butanoic acid is sourced from PubChem (CID 43240598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).