2-[ethyl(iodo)amino]ethyl propanoate

C7H14INO2 — CID 167202757

IUPAC2-[ethyl(iodo)amino]ethyl propanoate
SMILESCCC(=O)OCCN(I)CC
InChIInChI=1S/C7H14INO2/c1-3-7(10)11-6-5-9(8)4-2/h3-6H2,1-2H3
InChIKeyYNQCZCJBDPCWNJ-UHFFFAOYSA-N
MW271.10 g/mol
LogP1.61
Rot. Bonds5

About 2-[ethyl(iodo)amino]ethyl propanoate

2-[ethyl(iodo)amino]ethyl propanoate (PubChem CID 167202757) has the molecular formula C7H14INO2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 2-[ethyl(iodo)amino]ethyl propanoate.

Molecular Properties

Compound Name2-[ethyl(iodo)amino]ethyl propanoate
PubChem CID167202757
Molecular FormulaC7H14INO2
Molecular Weight271.10 g/mol
Exact Mass271.01
IUPAC Name2-[ethyl(iodo)amino]ethyl propanoate
SMILESCCC(=O)OCCN(I)CC
InChIInChI=1S/C7H14INO2/c1-3-7(10)11-6-5-9(8)4-2/h3-6H2,1-2H3
InChIKeyYNQCZCJBDPCWNJ-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[ethyl(iodo)amino]ethyl propanoate 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

2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
2-tellanylethyl propanoate
CID 174440561
2-[acetyl(2-propanoyloxyethyl)amino]ethyl propanoate;yttrium
CID 169015750
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
bis(propanoyloxymethyl) heptanedioate
CID 90973893
(3-amino-3-oxopropyl) propanoate
CID 54518941
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476
2-[2-[2-(2-propanoyloxyethoxy)ethoxy]ethoxy]ethyl propanoate
CID 87481595
14-propanoyloxytetradecyl propanoate
CID 100931915
2-[ethyl(1-hydroxyprop-2-ynyl)amino]ethyl propanoate
CID 163786290
8-oxo-8-(propanoyloxymethoxy)octanoic acid
CID 151773737
2-aminoethyl propanoate;zinc
CID 175266115

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(iodo)amino]ethyl propanoate?
The IUPAC name of 2-[ethyl(iodo)amino]ethyl propanoate (CID 167202757) is 2-[ethyl(iodo)amino]ethyl propanoate.
What is the SMILES notation for 2-[ethyl(iodo)amino]ethyl propanoate?
The canonical SMILES for 2-[ethyl(iodo)amino]ethyl propanoate is CCC(=O)OCCN(I)CC.
What is the InChIKey of 2-[ethyl(iodo)amino]ethyl propanoate?
The InChIKey is YNQCZCJBDPCWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14INO2/c1-3-7(10)11-6-5-9(8)4-2/h3-6H2,1-2H3.
What are the key properties of 2-[ethyl(iodo)amino]ethyl propanoate?
2-[ethyl(iodo)amino]ethyl propanoate has a molecular weight of 271.10 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(iodo)amino]ethyl propanoate is sourced from PubChem (CID 167202757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).