potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride

C16H30KNO5 — CID 174413671

IUPACpotassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride
SMILESCCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C16H29NO5.K.H/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-13(16(21)22)12-15(19)20;;/h13H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22);;/q;+1;-1/t13-;;/m0../s1
InChIKeyUUOSPOCZQLAWII-GXKRWWSZSA-N
MW355.52 g/mol
LogP0.07
Rot. Bonds14

About potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride

potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride (PubChem CID 174413671) has the molecular formula C16H30KNO5 and a molecular weight of 355.52 g/mol. Its IUPAC name is potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride.

Molecular Properties

Compound Namepotassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride
PubChem CID174413671
Molecular FormulaC16H30KNO5
Molecular Weight355.52 g/mol
Exact Mass355.18
IUPAC Namepotassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride
SMILESCCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C16H29NO5.K.H/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-13(16(21)22)12-15(19)20;;/h13H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22);;/q;+1;-1/t13-;;/m0../s1
InChIKeyUUOSPOCZQLAWII-GXKRWWSZSA-N
XLogP0.07
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;2-(tetradecanoylamino)butanedioic acid
CID 175453509
(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
3-(dodecanoylamino)-4-oxoheptanoic acid
CID 157485978
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845

Frequently Asked Questions

What is the IUPAC name of potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride?
The IUPAC name of potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride (CID 174413671) is potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride.
What is the SMILES notation for potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride?
The canonical SMILES for potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride is CCCCCCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride?
The InChIKey is UUOSPOCZQLAWII-GXKRWWSZSA-N. The full InChI is InChI=1S/C16H29NO5.K.H/c1-2-3-4-5-6-7-8-9-10-11-14(18)17-13(16(21)22)12-15(19)20;;/h13H,2-12H2,1H3,(H,17,18)(H,19,20)(H,21,22);;/q;+1;-1/t13-;;/m0../s1.
What are the key properties of potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride?
potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride has a molecular weight of 355.52 g/mol, XLogP of 0.07, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(2S)-2-(dodecanoylamino)butanedioic acid;hydride is sourced from PubChem (CID 174413671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).