4-(iodoamino)butanoic acid

C4H8INO2 — CID 147247435

IUPAC4-(iodoamino)butanoic acid
SMILESO=C(O)CCCNI
InChIInChI=1S/C4H8INO2/c5-6-3-1-2-4(7)8/h6H,1-3H2,(H,7,8)
InChIKeyCLZQDDXZCSZWSX-UHFFFAOYSA-N
MW229.02 g/mol
LogP0.79
Rot. Bonds4

About 4-(iodoamino)butanoic acid

4-(iodoamino)butanoic acid (PubChem CID 147247435) has the molecular formula C4H8INO2 and a molecular weight of 229.02 g/mol. Its IUPAC name is 4-(iodoamino)butanoic acid.

Molecular Properties

Compound Name4-(iodoamino)butanoic acid
PubChem CID147247435
Molecular FormulaC4H8INO2
Molecular Weight229.02 g/mol
Exact Mass228.96
IUPAC Name4-(iodoamino)butanoic acid
SMILESO=C(O)CCCNI
InChIInChI=1S/C4H8INO2/c5-6-3-1-2-4(7)8/h6H,1-3H2,(H,7,8)
InChIKeyCLZQDDXZCSZWSX-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(iodoamino)butanoic acid?
The IUPAC name of 4-(iodoamino)butanoic acid (CID 147247435) is 4-(iodoamino)butanoic acid.
What is the SMILES notation for 4-(iodoamino)butanoic acid?
The canonical SMILES for 4-(iodoamino)butanoic acid is O=C(O)CCCNI.
What is the InChIKey of 4-(iodoamino)butanoic acid?
The InChIKey is CLZQDDXZCSZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2/c5-6-3-1-2-4(7)8/h6H,1-3H2,(H,7,8).
What are the key properties of 4-(iodoamino)butanoic acid?
4-(iodoamino)butanoic acid has a molecular weight of 229.02 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodoamino)butanoic acid is sourced from PubChem (CID 147247435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).