(5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one

C5H9IN2O2 — CID 118458095

IUPAC(5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one
SMILESNC[C@@H]1COC(=O)N(I)C1
InChIInChI=1S/C5H9IN2O2/c6-8-2-4(1-7)3-10-5(8)9/h4H,1-3,7H2/t4-/m0/s1
InChIKeyUFOKRMBDUMXJRX-BYPYZUCNSA-N
MW256.04 g/mol
LogP0.36
Rot. Bonds1

About (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one

(5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one (PubChem CID 118458095) has the molecular formula C5H9IN2O2 and a molecular weight of 256.04 g/mol. Its IUPAC name is (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one
PubChem CID118458095
Molecular FormulaC5H9IN2O2
Molecular Weight256.04 g/mol
Exact Mass255.97
IUPAC Name(5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one
SMILESNC[C@@H]1COC(=O)N(I)C1
InChIInChI=1S/C5H9IN2O2/c6-8-2-4(1-7)3-10-5(8)9/h4H,1-3,7H2/t4-/m0/s1
InChIKeyUFOKRMBDUMXJRX-BYPYZUCNSA-N
XLogP0.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one?
The IUPAC name of (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one (CID 118458095) is (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one.
What is the SMILES notation for (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one?
The canonical SMILES for (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one is NC[C@@H]1COC(=O)N(I)C1.
What is the InChIKey of (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one?
The InChIKey is UFOKRMBDUMXJRX-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9IN2O2/c6-8-2-4(1-7)3-10-5(8)9/h4H,1-3,7H2/t4-/m0/s1.
What are the key properties of (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one?
(5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one has a molecular weight of 256.04 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(aminomethyl)-3-iodo-1,3-oxazinan-2-one is sourced from PubChem (CID 118458095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).