potassium 3-(2-oxononadecylamino)propanoate

C22H42KNO3 — CID 139910569

IUPACpotassium 3-(2-oxononadecylamino)propanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)CNCCC(=O)[O-].[K+]
InChIInChI=1S/C22H43NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)20-23-19-18-22(25)26;/h23H,2-20H2,1H3,(H,25,26);/q;+1/p-1
InChIKeyNLBKOJMADNMAGM-UHFFFAOYSA-M
MW407.68 g/mol
LogP1.55
Rot. Bonds21

About potassium 3-(2-oxononadecylamino)propanoate

potassium 3-(2-oxononadecylamino)propanoate (PubChem CID 139910569) has the molecular formula C22H42KNO3 and a molecular weight of 407.68 g/mol. Its IUPAC name is potassium 3-(2-oxononadecylamino)propanoate.

Molecular Properties

Compound Namepotassium 3-(2-oxononadecylamino)propanoate
PubChem CID139910569
Molecular FormulaC22H42KNO3
Molecular Weight407.68 g/mol
Exact Mass407.28
IUPAC Namepotassium 3-(2-oxononadecylamino)propanoate
SMILESCCCCCCCCCCCCCCCCCC(=O)CNCCC(=O)[O-].[K+]
InChIInChI=1S/C22H43NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)20-23-19-18-22(25)26;/h23H,2-20H2,1H3,(H,25,26);/q;+1/p-1
InChIKeyNLBKOJMADNMAGM-UHFFFAOYSA-M
XLogP1.55
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.68
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-(2-oxopentadecylamino)acetate
CID 87777451
1-(propylamino)tetradecan-2-one
CID 116562895
2-(2-oxotridecylamino)ethanesulfonate
CID 18364665
potassium heptanoate
CID 23681741
potassium decanoate
CID 23688501
tripotassium;dodecanoate;hexadecanoate;tetradecanoate
CID 161147915
potassium heptadecanoate
CID 23668524
potassium pentadecanoate
CID 23696764
octapotassium;octakis(decanoate)
CID 23617120
1-(2-methoxyethylamino)tetradecan-2-one
CID 116591607
copper(1+);2-(octylamino)acetate
CID 21278666
sodium 2-(2-oxotridecylamino)ethanesulfonate
CID 23688150

Frequently Asked Questions

What is the IUPAC name of potassium 3-(2-oxononadecylamino)propanoate?
The IUPAC name of potassium 3-(2-oxononadecylamino)propanoate (CID 139910569) is potassium 3-(2-oxononadecylamino)propanoate.
What is the SMILES notation for potassium 3-(2-oxononadecylamino)propanoate?
The canonical SMILES for potassium 3-(2-oxononadecylamino)propanoate is CCCCCCCCCCCCCCCCCC(=O)CNCCC(=O)[O-].[K+].
What is the InChIKey of potassium 3-(2-oxononadecylamino)propanoate?
The InChIKey is NLBKOJMADNMAGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H43NO3.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)20-23-19-18-22(25)26;/h23H,2-20H2,1H3,(H,25,26);/q;+1/p-1.
What are the key properties of potassium 3-(2-oxononadecylamino)propanoate?
potassium 3-(2-oxononadecylamino)propanoate has a molecular weight of 407.68 g/mol, XLogP of 1.55, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3-(2-oxononadecylamino)propanoate is sourced from PubChem (CID 139910569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).