potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate

C19H34KNO5 — CID 71587263

IUPACpotassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[H+].[K+]
InChIInChI=1S/C19H35NO5.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-1/t16-;/m0./s1
InChIKeyKYLDDUZJZSKJER-NTISSMGPSA-M
MW395.58 g/mol
LogP-1.43
Rot. Bonds17

About potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate

potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate (PubChem CID 71587263) has the molecular formula C19H34KNO5 and a molecular weight of 395.58 g/mol. Its IUPAC name is potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate.

Molecular Properties

Compound Namepotassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate
PubChem CID71587263
Molecular FormulaC19H34KNO5
Molecular Weight395.58 g/mol
Exact Mass395.21
IUPAC Namepotassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate
SMILESCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[H+].[K+]
InChIInChI=1S/C19H35NO5.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-1/t16-;/m0./s1
InChIKeyKYLDDUZJZSKJER-NTISSMGPSA-M
XLogP-1.43
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.58
LogP ≤ 5-1.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate 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

Sodium Lauroyl Glutamate
CID 23668603
Lauroyl Glutamic Acid
CID 93133
Disodium Stearoyl Glutamate
CID 94480
Triethanolamine lauroyl glutamate
CID 104536
Disodium Lauroyl Glutamate
CID 11337766
Sodium Stearoyl Glutamate
CID 23688969
Sodium Myristoyl Glutamate
CID 56843039
Disodium Capryloyl Glutamate
CID 71587566
L-Glutamic acid, N-(1-oxohexadecyl)-
CID 161955
Stearoyl Glutamic Acid
CID 94481
Myristoyl Glutamic Acid
CID 18634845
Sodium palmitoyl glutamate
CID 71587128

Frequently Asked Questions

What is the IUPAC name of potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate?
The IUPAC name of potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate (CID 71587263) is potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate.
What is the SMILES notation for potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate?
The canonical SMILES for potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate is CCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].[H+].[K+].
What is the InChIKey of potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate?
The InChIKey is KYLDDUZJZSKJER-NTISSMGPSA-M. The full InChI is InChI=1S/C19H35NO5.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(21)20-16(19(24)25)14-15-18(22)23;/h16H,2-15H2,1H3,(H,20,21)(H,22,23)(H,24,25);/q;+1/p-1/t16-;/m0./s1.
What are the key properties of potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate?
potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate has a molecular weight of 395.58 g/mol, XLogP of -1.43, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydron;(2S)-2-(tetradecanoylamino)pentanedioate is sourced from PubChem (CID 71587263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).