potassium;disodium;2-aminopentanedioate;dodecane

C17H32KNNa2O4 — CID 175396924

IUPACpotassium;disodium;2-aminopentanedioate;dodecane
SMILESNC(CCC(=O)[O-])C(=O)[O-].[CH2-]CCCCCCCCCCC.[K+].[Na+].[Na+]
InChIInChI=1S/C12H25.C5H9NO4.K.2Na/c1-3-5-7-9-11-12-10-8-6-4-2;6-3(5(9)10)1-2-4(7)8;;;/h1,3-12H2,2H3;3H,1-2,6H2,(H,7,8)(H,9,10);;;/q-1;;3*+1/p-2
InChIKeyXODYKTMVKVUTGJ-UHFFFAOYSA-L
MW399.52 g/mol
LogP-7.65
Rot. Bonds13

About potassium;disodium;2-aminopentanedioate;dodecane

potassium;disodium;2-aminopentanedioate;dodecane (PubChem CID 175396924) has the molecular formula C17H32KNNa2O4 and a molecular weight of 399.52 g/mol. Its IUPAC name is potassium;disodium;2-aminopentanedioate;dodecane.

Molecular Properties

Compound Namepotassium;disodium;2-aminopentanedioate;dodecane
PubChem CID175396924
Molecular FormulaC17H32KNNa2O4
Molecular Weight399.52 g/mol
Exact Mass399.18
IUPAC Namepotassium;disodium;2-aminopentanedioate;dodecane
SMILESNC(CCC(=O)[O-])C(=O)[O-].[CH2-]CCCCCCCCCCC.[K+].[Na+].[Na+]
InChIInChI=1S/C12H25.C5H9NO4.K.2Na/c1-3-5-7-9-11-12-10-8-6-4-2;6-3(5(9)10)1-2-4(7)8;;;/h1,3-12H2,2H3;3H,1-2,6H2,(H,7,8)(H,9,10);;;/q-1;;3*+1/p-2
InChIKeyXODYKTMVKVUTGJ-UHFFFAOYSA-L
XLogP-7.65
TPSA106.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 5-7.65
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

dipotassium;sodium;2-aminopentanedioate;octadecane
CID 175396926
disodium;2-aminopentanedioate;dodecan-1-ol
CID 174776149
trisodium;butanedioate;dodecane
CID 160502999
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
tetrasodium;2-aminopentanedioate;oxalate
CID 175012253
sodium 4-amino-5-oxo-5-tetradecoxypentanoate
CID 23707988
tris((2S)-2-aminopentanedioate);bis(cerium(3+))
CID 160944724
diazanium;2-aminopentanedioate
CID 22497325
copper (2S)-2-aminopentanedioate
CID 87093217
(2S)-2-aminopentanedioate;cadmium(2+)
CID 159859619
(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 potassium;disodium;2-aminopentanedioate;dodecane?
The IUPAC name of potassium;disodium;2-aminopentanedioate;dodecane (CID 175396924) is potassium;disodium;2-aminopentanedioate;dodecane.
What is the SMILES notation for potassium;disodium;2-aminopentanedioate;dodecane?
The canonical SMILES for potassium;disodium;2-aminopentanedioate;dodecane is NC(CCC(=O)[O-])C(=O)[O-].[CH2-]CCCCCCCCCCC.[K+].[Na+].[Na+].
What is the InChIKey of potassium;disodium;2-aminopentanedioate;dodecane?
The InChIKey is XODYKTMVKVUTGJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H25.C5H9NO4.K.2Na/c1-3-5-7-9-11-12-10-8-6-4-2;6-3(5(9)10)1-2-4(7)8;;;/h1,3-12H2,2H3;3H,1-2,6H2,(H,7,8)(H,9,10);;;/q-1;;3*+1/p-2.
What are the key properties of potassium;disodium;2-aminopentanedioate;dodecane?
potassium;disodium;2-aminopentanedioate;dodecane has a molecular weight of 399.52 g/mol, XLogP of -7.65, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;disodium;2-aminopentanedioate;dodecane is sourced from PubChem (CID 175396924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).