potassium;hydride;2-(tetradecanoylamino)butanedioic acid

C18H34KNO5 — CID 175453509

IUPACpotassium;hydride;2-(tetradecanoylamino)butanedioic acid
SMILESCCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C18H33NO5.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)19-15(18(23)24)14-17(21)22;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyGDROMULELAYTSL-UHFFFAOYSA-N
MW383.57 g/mol
LogP0.85
Rot. Bonds16

About potassium;hydride;2-(tetradecanoylamino)butanedioic acid

potassium;hydride;2-(tetradecanoylamino)butanedioic acid (PubChem CID 175453509) has the molecular formula C18H34KNO5 and a molecular weight of 383.57 g/mol. Its IUPAC name is potassium;hydride;2-(tetradecanoylamino)butanedioic acid.

Molecular Properties

Compound Namepotassium;hydride;2-(tetradecanoylamino)butanedioic acid
PubChem CID175453509
Molecular FormulaC18H34KNO5
Molecular Weight383.57 g/mol
Exact Mass383.21
IUPAC Namepotassium;hydride;2-(tetradecanoylamino)butanedioic acid
SMILESCCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C18H33NO5.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)19-15(18(23)24)14-17(21)22;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyGDROMULELAYTSL-UHFFFAOYSA-N
XLogP0.85
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.57
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze potassium;hydride;2-(tetradecanoylamino)butanedioic acid 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;(2S)-2-(dodecanoylamino)butanedioic acid;hydride
CID 174413671
(2R)-2-(hexadecanoylamino)butanedioic acid
CID 14585950
disodium;(2S)-2-(hexanoylamino)butanedioic acid;hydride
CID 174918684
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-(tetradecanoylamino)butanedioic acid
CID 87169965
sodium;(2R)-2-(hexadecanoylamino)pentanedioic acid;hydride
CID 173283992
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
4-amino-3-(hexadecanoylamino)-4-oxobutanoic acid
CID 91591572
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-(tetradecanoylamino)butanedioic acid?
The IUPAC name of potassium;hydride;2-(tetradecanoylamino)butanedioic acid (CID 175453509) is potassium;hydride;2-(tetradecanoylamino)butanedioic acid.
What is the SMILES notation for potassium;hydride;2-(tetradecanoylamino)butanedioic acid?
The canonical SMILES for potassium;hydride;2-(tetradecanoylamino)butanedioic acid is CCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;2-(tetradecanoylamino)butanedioic acid?
The InChIKey is GDROMULELAYTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO5.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)19-15(18(23)24)14-17(21)22;;/h15H,2-14H2,1H3,(H,19,20)(H,21,22)(H,23,24);;/q;+1;-1.
What are the key properties of potassium;hydride;2-(tetradecanoylamino)butanedioic acid?
potassium;hydride;2-(tetradecanoylamino)butanedioic acid has a molecular weight of 383.57 g/mol, XLogP of 0.85, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-(tetradecanoylamino)butanedioic acid is sourced from PubChem (CID 175453509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).