[4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate

C11H16IN3O3 — CID 135321420

IUPAC[4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate
SMILESNNCC(O)C(Cc1ccc(I)cc1)OC(N)=O
InChIInChI=1S/C11H16IN3O3/c12-8-3-1-7(2-4-8)5-10(18-11(13)17)9(16)6-15-14/h1-4,9-10,15-16H,5-6,14H2,(H2,13,17)
InChIKeyVUYBHQIZHPZRQB-UHFFFAOYSA-N
MW365.17 g/mol
LogP0.12
Rot. Bonds6

About [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate

[4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate (PubChem CID 135321420) has the molecular formula C11H16IN3O3 and a molecular weight of 365.17 g/mol. Its IUPAC name is [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate.

Molecular Properties

Compound Name[4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate
PubChem CID135321420
Molecular FormulaC11H16IN3O3
Molecular Weight365.17 g/mol
Exact Mass365.02
IUPAC Name[4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate
SMILESNNCC(O)C(Cc1ccc(I)cc1)OC(N)=O
InChIInChI=1S/C11H16IN3O3/c12-8-3-1-7(2-4-8)5-10(18-11(13)17)9(16)6-15-14/h1-4,9-10,15-16H,5-6,14H2,(H2,13,17)
InChIKeyVUYBHQIZHPZRQB-UHFFFAOYSA-N
XLogP0.12
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate?
The IUPAC name of [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate (CID 135321420) is [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate.
What is the SMILES notation for [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate?
The canonical SMILES for [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate is NNCC(O)C(Cc1ccc(I)cc1)OC(N)=O.
What is the InChIKey of [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate?
The InChIKey is VUYBHQIZHPZRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O3/c12-8-3-1-7(2-4-8)5-10(18-11(13)17)9(16)6-15-14/h1-4,9-10,15-16H,5-6,14H2,(H2,13,17).
What are the key properties of [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate?
[4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate has a molecular weight of 365.17 g/mol, XLogP of 0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydrazinyl-3-hydroxy-1-(4-iodophenyl)butan-2-yl] carbamate is sourced from PubChem (CID 135321420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).