potassium;2-aminobutanedioic acid;hexan-1-one

C10H18KNO5 — CID 174919168

IUPACpotassium;2-aminobutanedioic acid;hexan-1-one
SMILESCCCCC[C-]=O.NC(CC(=O)O)C(=O)O.[K+]
InChIInChI=1S/C6H11O.C4H7NO4.K/c1-2-3-4-5-6-7;5-2(4(8)9)1-3(6)7;/h2-5H2,1H3;2H,1,5H2,(H,6,7)(H,8,9);/q-1;;+1
InChIKeyFHVDGYXQYKJHIH-UHFFFAOYSA-N
MW271.35 g/mol
LogP-2.45
Rot. Bonds7

About potassium;2-aminobutanedioic acid;hexan-1-one

potassium;2-aminobutanedioic acid;hexan-1-one (PubChem CID 174919168) has the molecular formula C10H18KNO5 and a molecular weight of 271.35 g/mol. Its IUPAC name is potassium;2-aminobutanedioic acid;hexan-1-one.

Molecular Properties

Compound Namepotassium;2-aminobutanedioic acid;hexan-1-one
PubChem CID174919168
Molecular FormulaC10H18KNO5
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Namepotassium;2-aminobutanedioic acid;hexan-1-one
SMILESCCCCC[C-]=O.NC(CC(=O)O)C(=O)O.[K+]
InChIInChI=1S/C6H11O.C4H7NO4.K/c1-2-3-4-5-6-7;5-2(4(8)9)1-3(6)7;/h2-5H2,1H3;2H,1,5H2,(H,6,7)(H,8,9);/q-1;;+1
InChIKeyFHVDGYXQYKJHIH-UHFFFAOYSA-N
XLogP-2.45
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium;2-aminobutanedioic acid;hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;2-aminopentanedioic acid;hexadecan-1-one
CID 175194995
sodium;(2S)-2-aminopentanedioic acid;octadecan-1-one
CID 89404884
(2S)-2-aminobutanedioic acid;dodecanoic acid
CID 131742199
(2S)-2-aminobutanedioic acid;bis(hexan-1-ol)
CID 87354643
sodium;dodecan-1-one;propanoic acid
CID 174896137
sodium;2-hydroxypropanoic acid;octadecan-1-one
CID 87605930
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483

Frequently Asked Questions

What is the IUPAC name of potassium;2-aminobutanedioic acid;hexan-1-one?
The IUPAC name of potassium;2-aminobutanedioic acid;hexan-1-one (CID 174919168) is potassium;2-aminobutanedioic acid;hexan-1-one.
What is the SMILES notation for potassium;2-aminobutanedioic acid;hexan-1-one?
The canonical SMILES for potassium;2-aminobutanedioic acid;hexan-1-one is CCCCC[C-]=O.NC(CC(=O)O)C(=O)O.[K+].
What is the InChIKey of potassium;2-aminobutanedioic acid;hexan-1-one?
The InChIKey is FHVDGYXQYKJHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O.C4H7NO4.K/c1-2-3-4-5-6-7;5-2(4(8)9)1-3(6)7;/h2-5H2,1H3;2H,1,5H2,(H,6,7)(H,8,9);/q-1;;+1.
What are the key properties of potassium;2-aminobutanedioic acid;hexan-1-one?
potassium;2-aminobutanedioic acid;hexan-1-one has a molecular weight of 271.35 g/mol, XLogP of -2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-aminobutanedioic acid;hexan-1-one is sourced from PubChem (CID 174919168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).