(2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid

C9H9NO5P2 — CID 175570166

IUPAC(2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid
SMILESN[C@@H](Cc1c(P=O)cc(O)cc1P=O)C(=O)O
InChIInChI=1S/C9H9NO5P2/c10-6(9(12)13)3-5-7(16-14)1-4(11)2-8(5)17-15/h1-2,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
InChIKeyYABQJEOMTWMFIX-LURJTMIESA-N
MW273.12 g/mol
LogP0.18
Rot. Bonds5

About (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid

(2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid (PubChem CID 175570166) has the molecular formula C9H9NO5P2 and a molecular weight of 273.12 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid
PubChem CID175570166
Molecular FormulaC9H9NO5P2
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name(2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid
SMILESN[C@@H](Cc1c(P=O)cc(O)cc1P=O)C(=O)O
InChIInChI=1S/C9H9NO5P2/c10-6(9(12)13)3-5-7(16-14)1-4(11)2-8(5)17-15/h1-2,6,11H,3,10H2,(H,12,13)/t6-/m0/s1
InChIKeyYABQJEOMTWMFIX-LURJTMIESA-N
XLogP0.18
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-(2,4,6-trihydroxyphenyl)propanoic acid;hydrochloride
CID 91928391
2-amino-3-(4-hydroxy-2,6-dinitrophenyl)propanoic acid
CID 175337913
(2S)-2-amino-3-(2,4,6-trifluorophenyl)propanoic acid
CID 10846511
2-amino-3-(3-ethyl-5-hydroxyphenyl)propanoic acid
CID 117298569
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-[3-(2-fluoroethyl)-5-hydroxyphenyl]propanoic acid
CID 69488080
(2R)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
CID 6992999
2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoic acid
CID 170879455
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid (CID 175570166) is (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid is N[C@@H](Cc1c(P=O)cc(O)cc1P=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid?
The InChIKey is YABQJEOMTWMFIX-LURJTMIESA-N. The full InChI is InChI=1S/C9H9NO5P2/c10-6(9(12)13)3-5-7(16-14)1-4(11)2-8(5)17-15/h1-2,6,11H,3,10H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid?
(2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid has a molecular weight of 273.12 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxy-2,6-diphosphorosophenyl)propanoic acid is sourced from PubChem (CID 175570166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).