3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid

C13H16INO3 — CID 81065530

IUPAC3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccccc1I)CC(=O)O
InChIInChI=1S/C13H16INO3/c1-2-9(7-12(16)17)8-15-13(18)10-5-3-4-6-11(10)14/h3-6,9H,2,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyADCDVABXRDASPC-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.52
Rot. Bonds6

About 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid

3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid (PubChem CID 81065530) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
PubChem CID81065530
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC Name3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)c1ccccc1I)CC(=O)O
InChIInChI=1S/C13H16INO3/c1-2-9(7-12(16)17)8-15-13(18)10-5-3-4-6-11(10)14/h3-6,9H,2,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyADCDVABXRDASPC-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(2-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065631
3-[(1H-indole-7-carbonylamino)methyl]pentanoic acid
CID 81066304
3-[[(3-methyl-2-nitrobenzoyl)amino]methyl]pentanoic acid
CID 81067020
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
3-[[(2,6-dichlorobenzoyl)amino]methyl]pentanoic acid
CID 81066303
N-butan-2-yl-2-iodobenzamide
CID 3344108
3-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 81067028
3-[[(2-chlorofuran-3-carbonyl)amino]methyl]pentanoic acid
CID 106683561
3-[[(4-methylbenzoyl)amino]methyl]pentanoic acid
CID 81065864
3-[[(4-hydroxybenzoyl)amino]methyl]pentanoic acid
CID 81067009
3-[[(4-fluorobenzoyl)amino]methyl]pentanoic acid
CID 81066397
3-[[(2-chlorobenzoyl)amino]methyl]-5-methylhexanoic acid
CID 65492460

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid (CID 81065530) is 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid is CCC(CNC(=O)c1ccccc1I)CC(=O)O.
What is the InChIKey of 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid?
The InChIKey is ADCDVABXRDASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c1-2-9(7-12(16)17)8-15-13(18)10-5-3-4-6-11(10)14/h3-6,9H,2,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid?
3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid has a molecular weight of 361.18 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-iodobenzoyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).