(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide

C9H13NO5 — CID 87135815

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)O.OO
InChIInChI=1S/C9H11NO3.H2O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2/h1-4,8,11H,5,10H2,(H,12,13);1-2H/t8-;/m0./s1
InChIKeySNWBYZQZZLQHKK-QRPNPIFTSA-N
MW215.21 g/mol
LogP0.36
Rot. Bonds3

About (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide (PubChem CID 87135815) has the molecular formula C9H13NO5 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
PubChem CID87135815
Molecular FormulaC9H13NO5
Molecular Weight215.21 g/mol
Exact Mass215.08
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)O.OO
InChIInChI=1S/C9H11NO3.H2O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2/h1-4,8,11H,5,10H2,(H,12,13);1-2H/t8-;/m0./s1
InChIKeySNWBYZQZZLQHKK-QRPNPIFTSA-N
XLogP0.36
TPSA124.01 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

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
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
L-Tyrosine (disodium)
CID 66602062
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
disodium;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 170924153
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-amino-3-hydroxypropanoic acid
CID 22500201
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;arsoric acid
CID 87073128

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide (CID 87135815) is (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide is N[C@@H](Cc1ccc(O)cc1)C(=O)O.OO.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide?
The InChIKey is SNWBYZQZZLQHKK-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11NO3.H2O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2/h1-4,8,11H,5,10H2,(H,12,13);1-2H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide?
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide has a molecular weight of 215.21 g/mol, XLogP of 0.36, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide is sourced from PubChem (CID 87135815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).