3-(2-iodoethylamino)propanoic acid

C5H10INO2 — CID 121405538

IUPAC3-(2-iodoethylamino)propanoic acid
SMILESO=C(O)CCNCCI
InChIInChI=1S/C5H10INO2/c6-2-4-7-3-1-5(8)9/h7H,1-4H2,(H,8,9)
InChIKeyLVZSMERSKVVCCD-UHFFFAOYSA-N
MW243.04 g/mol
LogP0.49
Rot. Bonds5

About 3-(2-iodoethylamino)propanoic acid

3-(2-iodoethylamino)propanoic acid (PubChem CID 121405538) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is 3-(2-iodoethylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-iodoethylamino)propanoic acid
PubChem CID121405538
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name3-(2-iodoethylamino)propanoic acid
SMILESO=C(O)CCNCCI
InChIInChI=1S/C5H10INO2/c6-2-4-7-3-1-5(8)9/h7H,1-4H2,(H,8,9)
InChIKeyLVZSMERSKVVCCD-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 50.49
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'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-(2-carboxyethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]propanoic acid
CID 88924082
CID 172719967
CID 172719967
ethane;3-(propylamino)propanoic acid
CID 145416081
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
3-(3-chloropropylamino)propanoic acid
CID 142626490
3-(2-carboxyethylamino)propanoic acid;1-(dimethylamino)propan-1-ol
CID 89422176
4-(3-carboxypropylamino)butanoic acid
CID 4072500
3-(pentylamino)propanoic acid
CID 28830294
3-(ethylamino)propanoic acid;hydrochloride
CID 86759576
3-(5-oxohexylamino)propanoic acid
CID 87146551
azane;3-(dodecylamino)propanoic acid
CID 174643455

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodoethylamino)propanoic acid?
The IUPAC name of 3-(2-iodoethylamino)propanoic acid (CID 121405538) is 3-(2-iodoethylamino)propanoic acid.
What is the SMILES notation for 3-(2-iodoethylamino)propanoic acid?
The canonical SMILES for 3-(2-iodoethylamino)propanoic acid is O=C(O)CCNCCI.
What is the InChIKey of 3-(2-iodoethylamino)propanoic acid?
The InChIKey is LVZSMERSKVVCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c6-2-4-7-3-1-5(8)9/h7H,1-4H2,(H,8,9).
What are the key properties of 3-(2-iodoethylamino)propanoic acid?
3-(2-iodoethylamino)propanoic acid has a molecular weight of 243.04 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodoethylamino)propanoic acid is sourced from PubChem (CID 121405538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).