(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid

C10H15N2O7P — CID 121288738

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IUPAC(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid
SMILESC[C@@](Cc1ccc(OP(=O)(O)O)c(O)c1)(NN)C(=O)O
InChIInChI=1S/C10H15N2O7P/c1-10(12-11,9(14)15)5-6-2-3-8(7(13)4-6)19-20(16,17)18/h2-4,12-13H,5,11H2,1H3,(H,14,15)(H2,16,17,18)/t10-/m0/s1
InChIKeyPQUZXFMHVSMUNG-JTQLQIEISA-N
MW306.21 g/mol
LogP-0.29
Rot. Bonds6

About (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid

(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid (PubChem CID 121288738) has the molecular formula C10H15N2O7P and a molecular weight of 306.21 g/mol. Its IUPAC name is (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid
PubChem CID121288738
Molecular FormulaC10H15N2O7P
Molecular Weight306.21 g/mol
Exact Mass306.06
IUPAC Name(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid
SMILESC[C@@](Cc1ccc(OP(=O)(O)O)c(O)c1)(NN)C(=O)O
InChIInChI=1S/C10H15N2O7P/c1-10(12-11,9(14)15)5-6-2-3-8(7(13)4-6)19-20(16,17)18/h2-4,12-13H,5,11H2,1H3,(H,14,15)(H2,16,17,18)/t10-/m0/s1
InChIKeyPQUZXFMHVSMUNG-JTQLQIEISA-N
XLogP-0.29
TPSA162.34 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.21
LogP ≤ 5-0.29
H-Bond Donors ≤ 56
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

Levodopa
CID 6047
Methyldopa
CID 38853
Carbidopa
CID 34359
Alpha-methyldopa
CID 4138
DL-Dopa
CID 836
(2S)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate
CID 6971033
dopa d-form
CID 92222
Methyldopate Hydrochloride
CID 17276
Methyldopa sesquihydrate
CID 38852
Carbidopa monohydrate
CID 38101
Carbidopa; Levodopa
CID 441193
CID 58663891
CID 58663891

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid?
The IUPAC name of (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid (CID 121288738) is (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid is C[C@@](Cc1ccc(OP(=O)(O)O)c(O)c1)(NN)C(=O)O.
What is the InChIKey of (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid?
The InChIKey is PQUZXFMHVSMUNG-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15N2O7P/c1-10(12-11,9(14)15)5-6-2-3-8(7(13)4-6)19-20(16,17)18/h2-4,12-13H,5,11H2,1H3,(H,14,15)(H2,16,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid?
(2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid has a molecular weight of 306.21 g/mol, XLogP of -0.29, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 121288738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).