[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate

C11H17N2O6P — CID 121288702

IUPAC[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate
SMILESCC(=O)[C@](C)(Cc1ccc(O)c(OP(=O)(O)O)c1)NN
InChIInChI=1S/C11H17N2O6P/c1-7(14)11(2,13-12)6-8-3-4-9(15)10(5-8)19-20(16,17)18/h3-5,13,15H,6,12H2,1-2H3,(H2,16,17,18)/t11-/m0/s1
InChIKeySDDHTOUMIZBRNO-NSHDSACASA-N
MW304.24 g/mol
LogP0.22
Rot. Bonds6

About [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate

[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate (PubChem CID 121288702) has the molecular formula C11H17N2O6P and a molecular weight of 304.24 g/mol. Its IUPAC name is [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate
PubChem CID121288702
Molecular FormulaC11H17N2O6P
Molecular Weight304.24 g/mol
Exact Mass304.08
IUPAC Name[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate
SMILESCC(=O)[C@](C)(Cc1ccc(O)c(OP(=O)(O)O)c1)NN
InChIInChI=1S/C11H17N2O6P/c1-7(14)11(2,13-12)6-8-3-4-9(15)10(5-8)19-20(16,17)18/h3-5,13,15H,6,12H2,1-2H3,(H2,16,17,18)/t11-/m0/s1
InChIKeySDDHTOUMIZBRNO-NSHDSACASA-N
XLogP0.22
TPSA142.11 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.24
LogP ≤ 50.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-diphosphonooxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 134365987
2-hydrazinyl-3-[4-hydroxy-3-(phosphonooxymethoxy)phenyl]-2-methylpropanoic acid
CID 121282423
(2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
CID 146617236
benzyl (2S)-2-hydrazinyl-3-(4-hydroxy-3-phenylmethoxyphenyl)-2-methylpropanoate
CID 165116977
dihydroxy(oxo)phosphanium;(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 165103444
N'-(2-aminoethyl)ethane-1,2-diamine;(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 174869413
tris(2-methoxy-4-propylphenol);phosphoric acid
CID 71328492
ethyl (2S)-3-(4-hydroxy-3-phosphonooxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate
CID 67926056
(2S)-3-[3,4-bis(ethoxycarbonyloxy)phenyl]-2-hydrazinyl-2-methylpropanoate
CID 131725923
(3R)-3-amino-4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 163965767
(3-methoxyphenyl)methyl 3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoate
CID 91488477
[5-[(2S)-2-amino-3-oxobutyl]-2-hydroxyphenoxy]methyl dihydrogen phosphate
CID 121288700

Frequently Asked Questions

What is the IUPAC name of [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate?
The IUPAC name of [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate (CID 121288702) is [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate.
What is the SMILES notation for [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate?
The canonical SMILES for [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate is CC(=O)[C@](C)(Cc1ccc(O)c(OP(=O)(O)O)c1)NN.
What is the InChIKey of [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate?
The InChIKey is SDDHTOUMIZBRNO-NSHDSACASA-N. The full InChI is InChI=1S/C11H17N2O6P/c1-7(14)11(2,13-12)6-8-3-4-9(15)10(5-8)19-20(16,17)18/h3-5,13,15H,6,12H2,1-2H3,(H2,16,17,18)/t11-/m0/s1.
What are the key properties of [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate?
[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate has a molecular weight of 304.24 g/mol, XLogP of 0.22, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate is sourced from PubChem (CID 121288702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).