[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium

C9H14N3O2+ — CID 6950158

IUPAC[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium
SMILESNNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1
InChIInChI=1S/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)/p+1/t8-/m0/s1
InChIKeyMWIXENPCUPDSOS-QMMMGPOBSA-O
MW196.23 g/mol
LogP-1.46
Rot. Bonds3

About [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium

[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium (PubChem CID 6950158) has the molecular formula C9H14N3O2+ and a molecular weight of 196.23 g/mol. Its IUPAC name is [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium
PubChem CID6950158
Molecular FormulaC9H14N3O2+
Molecular Weight196.23 g/mol
Exact Mass196.11
IUPAC Name[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium
SMILESNNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1
InChIInChI=1S/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)/p+1/t8-/m0/s1
InChIKeyMWIXENPCUPDSOS-QMMMGPOBSA-O
XLogP-1.46
TPSA102.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate;hydrogen peroxide
CID 139195737
(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 40520321
(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
[3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
CID 4052014
2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
[(2S)-1,6-bis(4-hydroxyphenyl)-3-oxohexan-2-yl]azanium;hydrochloride
CID 158550374
(2S)-2-hydrazinyl-3-(4-hydroxyphenyl)propanoyl iodide
CID 89094308
(2S)-2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CID 7021865
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
methyl 2-[(4-hydroxyphenyl)methyl]butanoate
CID 22988421
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium (CID 6950158) is [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium is NNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1.
What is the InChIKey of [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium?
The InChIKey is MWIXENPCUPDSOS-QMMMGPOBSA-O. The full InChI is InChI=1S/C9H13N3O2/c10-8(9(14)12-11)5-6-1-3-7(13)4-2-6/h1-4,8,13H,5,10-11H2,(H,12,14)/p+1/t8-/m0/s1.
What are the key properties of [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium?
[(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium has a molecular weight of 196.23 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydrazinyl-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 6950158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).