dipotassium;sodium;2-aminopentanedioate;octadecane

C23H44K2NNaO4 — CID 175396926

IUPACdipotassium;sodium;2-aminopentanedioate;octadecane
SMILESNC(CCC(=O)[O-])C(=O)[O-].[CH2-]CCCCCCCCCCCCCCCCC.[K+].[K+].[Na+]
InChIInChI=1S/C18H37.C5H9NO4.2K.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;6-3(5(9)10)1-2-4(7)8;;;/h1,3-18H2,2H3;3H,1-2,6H2,(H,7,8)(H,9,10);;;/q-1;;3*+1/p-2
InChIKeyQLXFJORXLVLSQZ-UHFFFAOYSA-L
MW499.79 g/mol
LogP-5.31
Rot. Bonds19

About dipotassium;sodium;2-aminopentanedioate;octadecane

dipotassium;sodium;2-aminopentanedioate;octadecane (PubChem CID 175396926) has the molecular formula C23H44K2NNaO4 and a molecular weight of 499.79 g/mol. Its IUPAC name is dipotassium;sodium;2-aminopentanedioate;octadecane.

Molecular Properties

Compound Namedipotassium;sodium;2-aminopentanedioate;octadecane
PubChem CID175396926
Molecular FormulaC23H44K2NNaO4
Molecular Weight499.79 g/mol
Exact Mass499.24
IUPAC Namedipotassium;sodium;2-aminopentanedioate;octadecane
SMILESNC(CCC(=O)[O-])C(=O)[O-].[CH2-]CCCCCCCCCCCCCCCCC.[K+].[K+].[Na+]
InChIInChI=1S/C18H37.C5H9NO4.2K.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;6-3(5(9)10)1-2-4(7)8;;;/h1,3-18H2,2H3;3H,1-2,6H2,(H,7,8)(H,9,10);;;/q-1;;3*+1/p-2
InChIKeyQLXFJORXLVLSQZ-UHFFFAOYSA-L
XLogP-5.31
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.79
LogP ≤ 5-5.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;disodium;2-aminopentanedioate;dodecane
CID 175396924
disodium;2-aminopentanedioate;dodecan-1-ol
CID 174776149
trisodium;butanedioate;dodecane
CID 160502999
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
sodium 4-amino-5-oxo-5-tetradecoxypentanoate
CID 23707988
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;manganese(2+)
CID 10442757
potassium (2S)-2-amino-5-octadecoxy-5-oxopentanoate
CID 174758136

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;2-aminopentanedioate;octadecane?
The IUPAC name of dipotassium;sodium;2-aminopentanedioate;octadecane (CID 175396926) is dipotassium;sodium;2-aminopentanedioate;octadecane.
What is the SMILES notation for dipotassium;sodium;2-aminopentanedioate;octadecane?
The canonical SMILES for dipotassium;sodium;2-aminopentanedioate;octadecane is NC(CCC(=O)[O-])C(=O)[O-].[CH2-]CCCCCCCCCCCCCCCCC.[K+].[K+].[Na+].
What is the InChIKey of dipotassium;sodium;2-aminopentanedioate;octadecane?
The InChIKey is QLXFJORXLVLSQZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H37.C5H9NO4.2K.Na/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;6-3(5(9)10)1-2-4(7)8;;;/h1,3-18H2,2H3;3H,1-2,6H2,(H,7,8)(H,9,10);;;/q-1;;3*+1/p-2.
What are the key properties of dipotassium;sodium;2-aminopentanedioate;octadecane?
dipotassium;sodium;2-aminopentanedioate;octadecane has a molecular weight of 499.79 g/mol, XLogP of -5.31, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;2-aminopentanedioate;octadecane is sourced from PubChem (CID 175396926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).