N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide

C10H18INO4 — CID 139310605

IUPACN-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide
SMILESCCC(C)(C)OCC(O)CC(=O)NC(=O)I
InChIInChI=1S/C10H18INO4/c1-4-10(2,3)16-6-7(13)5-8(14)12-9(11)15/h7,13H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyHAASFGCVFZHAQV-UHFFFAOYSA-N
MW343.16 g/mol
LogP1.61
Rot. Bonds6

About N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide

N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide (PubChem CID 139310605) has the molecular formula C10H18INO4 and a molecular weight of 343.16 g/mol. Its IUPAC name is N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide
PubChem CID139310605
Molecular FormulaC10H18INO4
Molecular Weight343.16 g/mol
Exact Mass343.03
IUPAC NameN-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide
SMILESCCC(C)(C)OCC(O)CC(=O)NC(=O)I
InChIInChI=1S/C10H18INO4/c1-4-10(2,3)16-6-7(13)5-8(14)12-9(11)15/h7,13H,4-6H2,1-3H3,(H,12,14,15)
InChIKeyHAASFGCVFZHAQV-UHFFFAOYSA-N
XLogP1.61
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide?
The IUPAC name of N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide (CID 139310605) is N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide.
What is the SMILES notation for N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide?
The canonical SMILES for N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide is CCC(C)(C)OCC(O)CC(=O)NC(=O)I.
What is the InChIKey of N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide?
The InChIKey is HAASFGCVFZHAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO4/c1-4-10(2,3)16-6-7(13)5-8(14)12-9(11)15/h7,13H,4-6H2,1-3H3,(H,12,14,15).
What are the key properties of N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide?
N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide has a molecular weight of 343.16 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(2-methylbutan-2-yloxy)butanoyl]carbamoyl iodide is sourced from PubChem (CID 139310605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).