5-[(2-iodoacetyl)amino]pentanoic acid

C7H12INO3 — CID 3080900

IUPAC5-[(2-iodoacetyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CI
InChIInChI=1S/C7H12INO3/c8-5-6(10)9-4-2-1-3-7(11)12/h1-5H2,(H,9,10)(H,11,12)
InChIKeyPLSYLDNESMRITA-UHFFFAOYSA-N
MW285.08 g/mol
LogP0.79
Rot. Bonds6

About 5-[(2-iodoacetyl)amino]pentanoic acid

5-[(2-iodoacetyl)amino]pentanoic acid (PubChem CID 3080900) has the molecular formula C7H12INO3 and a molecular weight of 285.08 g/mol. Its IUPAC name is 5-[(2-iodoacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2-iodoacetyl)amino]pentanoic acid
PubChem CID3080900
Molecular FormulaC7H12INO3
Molecular Weight285.08 g/mol
Exact Mass284.99
IUPAC Name5-[(2-iodoacetyl)amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)CI
InChIInChI=1S/C7H12INO3/c8-5-6(10)9-4-2-1-3-7(11)12/h1-5H2,(H,9,10)(H,11,12)
InChIKeyPLSYLDNESMRITA-UHFFFAOYSA-N
XLogP0.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(2-iodoacetyl)amino]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

12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
4-[bis[2-[(2-iodoacetyl)amino]ethyl]carbamoylamino]butanoic acid
CID 135352491
16-(butanoylamino)hexadecanoic acid
CID 118711043
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
6-[(2-aminoacetyl)amino]hexanoic acid;methane
CID 144591322
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
N-(6-acetamidohexyl)-2-iodoacetamide
CID 89340654

Frequently Asked Questions

What is the IUPAC name of 5-[(2-iodoacetyl)amino]pentanoic acid?
The IUPAC name of 5-[(2-iodoacetyl)amino]pentanoic acid (CID 3080900) is 5-[(2-iodoacetyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(2-iodoacetyl)amino]pentanoic acid?
The canonical SMILES for 5-[(2-iodoacetyl)amino]pentanoic acid is O=C(O)CCCCNC(=O)CI.
What is the InChIKey of 5-[(2-iodoacetyl)amino]pentanoic acid?
The InChIKey is PLSYLDNESMRITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12INO3/c8-5-6(10)9-4-2-1-3-7(11)12/h1-5H2,(H,9,10)(H,11,12).
What are the key properties of 5-[(2-iodoacetyl)amino]pentanoic acid?
5-[(2-iodoacetyl)amino]pentanoic acid has a molecular weight of 285.08 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-iodoacetyl)amino]pentanoic acid is sourced from PubChem (CID 3080900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).