(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid

C9H12NO6P — CID 57008274

IUPAC(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1P(=O)(O)O)C(=O)O
InChIInChI=1S/C9H12NO6P/c10-7(9(12)13)3-5-1-2-6(11)4-8(5)17(14,15)16/h1-2,4,7,11H,3,10H2,(H,12,13)(H2,14,15,16)/t7-/m0/s1
InChIKeyMUYJKCHJGVIUAR-ZETCQYMHSA-N
MW261.17 g/mol
LogP-0.85
Rot. Bonds4

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

(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid (PubChem CID 57008274) has the molecular formula C9H12NO6P and a molecular weight of 261.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
PubChem CID57008274
Molecular FormulaC9H12NO6P
Molecular Weight261.17 g/mol
Exact Mass261.04
IUPAC Name(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(O)cc1P(=O)(O)O)C(=O)O
InChIInChI=1S/C9H12NO6P/c10-7(9(12)13)3-5-1-2-6(11)4-8(5)17(14,15)16/h1-2,4,7,11H,3,10H2,(H,12,13)(H2,14,15,16)/t7-/m0/s1
InChIKeyMUYJKCHJGVIUAR-ZETCQYMHSA-N
XLogP-0.85
TPSA141.08 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(2-amino-4-hydroxyphenyl)propanoic acid
CID 5134354
(2S)-2-amino-3-[4-hydroxy-2-(4-hydroxyphenyl)phenyl]propanoic acid
CID 152754952
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2R)-2-amino-3-(4-hydroxy-2-nitrophenyl)propanoic acid
CID 134160007
(2S)-2-amino-3-[2-(1,3-disulfopropan-2-yl)-4-hydroxyphenyl]propanoic acid
CID 56993310
[5-hydroxy-2-[2-(4-hydroxyphenyl)butyl]phenyl]phosphonic acid
CID 57191516
(2S)-2-amino-3-[4-(4-hydroxy-2-iodophenoxy)-2-iodophenyl]propanoic acid
CID 21116861
(2S)-2-amino-3-(4-hydroxy-2,5-diiodophenyl)propanoic acid
CID 69405398
2-amino-3-(2,3-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 174776848
(2S)-2-amino-3-(2-iodo-4-nitrophenyl)propanoic acid
CID 54574280
(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)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid (CID 57008274) is (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid is N[C@@H](Cc1ccc(O)cc1P(=O)(O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid?
The InChIKey is MUYJKCHJGVIUAR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12NO6P/c10-7(9(12)13)3-5-1-2-6(11)4-8(5)17(14,15)16/h1-2,4,7,11H,3,10H2,(H,12,13)(H2,14,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid?
(2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid has a molecular weight of 261.17 g/mol, XLogP of -0.85, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxy-2-phosphonophenyl)propanoic acid is sourced from PubChem (CID 57008274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).