potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate

C23H42KNO5 — CID 90103272

IUPACpotassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](N)CCC(=O)[O-].[K+]
InChIInChI=1S/C23H43NO5.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-23(28)20(24)18-19-21(25)26;/h20H,2-19,24H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m1./s1
InChIKeyUUFFRXMYQYWFNI-VEIFNGETSA-M
MW451.69 g/mol
LogP1.18
Rot. Bonds20

About potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate

potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate (PubChem CID 90103272) has the molecular formula C23H42KNO5 and a molecular weight of 451.69 g/mol. Its IUPAC name is potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate.

Molecular Properties

Compound Namepotassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate
PubChem CID90103272
Molecular FormulaC23H42KNO5
Molecular Weight451.69 g/mol
Exact Mass451.27
IUPAC Namepotassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](N)CCC(=O)[O-].[K+]
InChIInChI=1S/C23H43NO5.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-23(28)20(24)18-19-21(25)26;/h20H,2-19,24H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m1./s1
InChIKeyUUFFRXMYQYWFNI-VEIFNGETSA-M
XLogP1.18
TPSA109.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.69
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dipotassium bis((4S)-4-amino-5-hexanoyloxy-5-oxopentanoate)
CID 142746686
sodium (4S)-4-amino-5-octadecanoyloxy-5-oxopentanoate
CID 53472006
disodium bis((4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate)
CID 140516830
magnesium bis(4-amino-5-hexadecanoyloxy-5-oxopentanoate)
CID 76519147
sodium (4S)-4-amino-5-hexadecanoyloxy-5-oxopentanoate
CID 87091450
sodium (4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate
CID 57349620
sodium 4-amino-5-icosanoyloxy-5-oxopentanoate
CID 175190767
magnesium bis((4S)-4-amino-5-oxo-5-tetradecanoyloxypentanoate)
CID 176590264
disodium bis(4-amino-5-oxo-5-undecanoyloxypentanoate)
CID 175234729
potassium;4-amino-5-oxo-5-tetradecanoyloxypentanoate;propane-1,2,3-triol
CID 174756989
sodium;4-amino-5-oxo-5-tetradecanoyloxypentanoate;propane-1,2,3-triol
CID 175411211
sodium (4S)-4-amino-5-[(Z)-octadec-9-enoyl]oxy-5-oxopentanoate
CID 140782213

Frequently Asked Questions

What is the IUPAC name of potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate?
The IUPAC name of potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate (CID 90103272) is potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate.
What is the SMILES notation for potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate?
The canonical SMILES for potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate is CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](N)CCC(=O)[O-].[K+].
What is the InChIKey of potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate?
The InChIKey is UUFFRXMYQYWFNI-VEIFNGETSA-M. The full InChI is InChI=1S/C23H43NO5.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-23(28)20(24)18-19-21(25)26;/h20H,2-19,24H2,1H3,(H,25,26);/q;+1/p-1/t20-;/m1./s1.
What are the key properties of potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate?
potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate has a molecular weight of 451.69 g/mol, XLogP of 1.18, 20 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4R)-4-amino-5-octadecanoyloxy-5-oxopentanoate is sourced from PubChem (CID 90103272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).