(2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid

C16H15NO6 — CID 102313517

IUPAC(2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OOC(=O)c2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO6/c17-14(15(19)20)9-10-1-7-13(8-2-10)22-23-16(21)11-3-5-12(18)6-4-11/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m1/s1
InChIKeyWSVOERJGBFOGLK-CQSZACIVSA-N
MW317.30 g/mol
LogP1.50
Rot. Bonds6

About (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid

(2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid (PubChem CID 102313517) has the molecular formula C16H15NO6 and a molecular weight of 317.30 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid
PubChem CID102313517
Molecular FormulaC16H15NO6
Molecular Weight317.30 g/mol
Exact Mass317.09
IUPAC Name(2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid
SMILESN[C@H](Cc1ccc(OOC(=O)c2ccc(O)cc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO6/c17-14(15(19)20)9-10-1-7-13(8-2-10)22-23-16(21)11-3-5-12(18)6-4-11/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m1/s1
InChIKeyWSVOERJGBFOGLK-CQSZACIVSA-N
XLogP1.50
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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-(4-hydroxyphenoxy)phenyl]propanoic acid;trihydroiodide
CID 159230328
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-[4-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxyphenyl]propanoic acid
CID 70292963
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid (CID 102313517) is (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid is N[C@H](Cc1ccc(OOC(=O)c2ccc(O)cc2)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid?
The InChIKey is WSVOERJGBFOGLK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15NO6/c17-14(15(19)20)9-10-1-7-13(8-2-10)22-23-16(21)11-3-5-12(18)6-4-11/h1-8,14,18H,9,17H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid?
(2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid has a molecular weight of 317.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[4-(4-hydroxybenzoyl)peroxyphenyl]propanoic acid is sourced from PubChem (CID 102313517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).