(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide

C9H11IN2O2 — CID 89094308

IUPAC(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide
SMILESNN[C@@H](Cc1ccc(O)cc1)C(=O)I
InChIInChI=1S/C9H11IN2O2/c10-9(14)8(12-11)5-6-1-3-7(13)4-2-6/h1-4,8,12-13H,5,11H2/t8-/m0/s1
InChIKeyGFYLZDXMYAGGEC-QMMMGPOBSA-N
MW306.10 g/mol
LogP0.73
Rot. Bonds4

About (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide

(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide (PubChem CID 89094308) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide.

Molecular Properties

Compound Name(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide
PubChem CID89094308
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide
SMILESNN[C@@H](Cc1ccc(O)cc1)C(=O)I
InChIInChI=1S/C9H11IN2O2/c10-9(14)8(12-11)5-6-1-3-7(13)4-2-6/h1-4,8,12-13H,5,11H2/t8-/m0/s1
InChIKeyGFYLZDXMYAGGEC-QMMMGPOBSA-N
XLogP0.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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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Related Compounds

2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
hexyl (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoate
CID 141493620
4-[(2S)-2-hydrazinylpropyl]phenol
CID 97429943
[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]astatine
CID 175700349
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
CID 71695731
ethyl 3-(4-hydroxyphenyl)-2-[(2-iodoacetyl)amino]propanoate
CID 168727157
acetyl 2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoate
CID 89373373
[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium
CID 6950158
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
(2S)-2-[2-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hydrazinyl]-3-hydroxypropanoic acid
CID 91120365
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide?
The IUPAC name of (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide (CID 89094308) is (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide.
What is the SMILES notation for (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide?
The canonical SMILES for (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide is NN[C@@H](Cc1ccc(O)cc1)C(=O)I.
What is the InChIKey of (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide?
The InChIKey is GFYLZDXMYAGGEC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11IN2O2/c10-9(14)8(12-11)5-6-1-3-7(13)4-2-6/h1-4,8,12-13H,5,11H2/t8-/m0/s1.
What are the key properties of (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide?
(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide has a molecular weight of 306.10 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide is sourced from PubChem (CID 89094308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).