(2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid

C9H14N3O7P — CID 146617236

IUPAC(2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
SMILESNN[C@@](N)(Cc1ccc(OP(=O)(O)O)c(O)c1)C(=O)O
InChIInChI=1S/C9H14N3O7P/c10-9(12-11,8(14)15)4-5-1-2-7(6(13)3-5)19-20(16,17)18/h1-3,12-13H,4,10-11H2,(H,14,15)(H2,16,17,18)/t9-/m0/s1
InChIKeyHGSORQOFELCQFW-VIFPVBQESA-N
MW307.20 g/mol
LogP-1.39
Rot. Bonds6

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

(2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid (PubChem CID 146617236) has the molecular formula C9H14N3O7P and a molecular weight of 307.20 g/mol. Its IUPAC name is (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
PubChem CID146617236
Molecular FormulaC9H14N3O7P
Molecular Weight307.20 g/mol
Exact Mass307.06
IUPAC Name(2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
SMILESNN[C@@](N)(Cc1ccc(OP(=O)(O)O)c(O)c1)C(=O)O
InChIInChI=1S/C9H14N3O7P/c10-9(12-11,8(14)15)4-5-1-2-7(6(13)3-5)19-20(16,17)18/h1-3,12-13H,4,10-11H2,(H,14,15)(H2,16,17,18)/t9-/m0/s1
InChIKeyHGSORQOFELCQFW-VIFPVBQESA-N
XLogP-1.39
TPSA188.36 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.20
LogP ≤ 5-1.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3,4-diphosphonooxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 134365987
[5-[(2S)-2-hydrazinyl-2-methyl-3-oxobutyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 121288702
2-hydrazinyl-3-[4-hydroxy-3-(phosphonooxymethoxy)phenyl]-2-methylpropanoic acid
CID 121282423
2-(2-acetylhydrazinyl)-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
CID 165117035
2-[2-(3-aminopropanoyl)hydrazinyl]-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
CID 165116850
5-[[(1S)-1-carboxy-2-(3-hydroxy-4-phosphonooxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 165117025
[4-[2-amino-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 156647221
(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
CID 57311138
[4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 156647207
dihydroxy(oxo)phosphanium;(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
CID 165103444
(2S)-2-amino-2-[(3,4-dihydroxyphenyl)methyl]-3-hydroxypropanoic acid
CID 70547377
(3S)-4-(3,4-dihydroxyphenyl)-3-hydrazinyl-3-methylbutanoic acid
CID 67576357

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid (CID 146617236) is (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid is NN[C@@](N)(Cc1ccc(OP(=O)(O)O)c(O)c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid?
The InChIKey is HGSORQOFELCQFW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N3O7P/c10-9(12-11,8(14)15)4-5-1-2-7(6(13)3-5)19-20(16,17)18/h1-3,12-13H,4,10-11H2,(H,14,15)(H2,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid?
(2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid has a molecular weight of 307.20 g/mol, XLogP of -1.39, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-hydrazinyl-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid is sourced from PubChem (CID 146617236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).