potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide

C24H72KNO2 — CID 159455971

IUPACpotassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.N[C@@H](C=O)Cc1ccc(O)cc1.[3H-].[K+]
InChIInChI=1S/C9H11NO2.15CH4.K.H/c10-8(6-11)5-7-1-3-9(12)4-2-7;;;;;;;;;;;;;;;;;/h1-4,6,8,12H,5,10H2;15*1H4;;/q;;;;;;;;;;;;;;;;+1;-1/t8-;;;;;;;;;;;;;;;;;/m1................./s1/i;;;;;;;;;;;;;;;;;1+2
InChIKeyOTLABUULLSQGFO-GBZUGUHCSA-N
MW447.95 g/mol
LogP7.12
Rot. Bonds3

About potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide

potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide (PubChem CID 159455971) has the molecular formula C24H72KNO2 and a molecular weight of 447.95 g/mol. Its IUPAC name is potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide.

Molecular Properties

Compound Namepotassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide
PubChem CID159455971
Molecular FormulaC24H72KNO2
Molecular Weight447.95 g/mol
Exact Mass447.53
IUPAC Namepotassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.N[C@@H](C=O)Cc1ccc(O)cc1.[3H-].[K+]
InChIInChI=1S/C9H11NO2.15CH4.K.H/c10-8(6-11)5-7-1-3-9(12)4-2-7;;;;;;;;;;;;;;;;;/h1-4,6,8,12H,5,10H2;15*1H4;;/q;;;;;;;;;;;;;;;;+1;-1/t8-;;;;;;;;;;;;;;;;;/m1................./s1/i;;;;;;;;;;;;;;;;;1+2
InChIKeyOTLABUULLSQGFO-GBZUGUHCSA-N
XLogP7.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-pyridin-4-ylpropanal
CID 22827621
(2R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanal
CID 91554776
(2S)-2-amino-3-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]propanal
CID 121230878
(2S)-2-(dihydroxyamino)-3-(4-hydroxyphenyl)propanal
CID 22823514
tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
CID 173365455
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]propanamide
CID 90694268
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2S)-2-amino-N-formyl-3-(4-hydroxyphenyl)propanamide
CID 88879957
2-[(2S)-2-amino-3-oxopropyl]-5-hydroxybenzaldehyde
CID 57260630

Frequently Asked Questions

What is the IUPAC name of potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide?
The IUPAC name of potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide (CID 159455971) is potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide.
What is the SMILES notation for potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide?
The canonical SMILES for potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.N[C@@H](C=O)Cc1ccc(O)cc1.[3H-].[K+].
What is the InChIKey of potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide?
The InChIKey is OTLABUULLSQGFO-GBZUGUHCSA-N. The full InChI is InChI=1S/C9H11NO2.15CH4.K.H/c10-8(6-11)5-7-1-3-9(12)4-2-7;;;;;;;;;;;;;;;;;/h1-4,6,8,12H,5,10H2;15*1H4;;/q;;;;;;;;;;;;;;;;+1;-1/t8-;;;;;;;;;;;;;;;;;/m1................./s1/i;;;;;;;;;;;;;;;;;1+2.
What are the key properties of potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide?
potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide has a molecular weight of 447.95 g/mol, XLogP of 7.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2R)-2-amino-3-(4-hydroxyphenyl)propanal;methane;tritide is sourced from PubChem (CID 159455971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).