potassium;hydride;2-(octadecanoylamino)acetic acid

C20H40KNO3 — CID 174739574

IUPACpotassium;hydride;2-(octadecanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O.[H-].[K+]
InChIInChI=1S/C20H39NO3.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24;;/h2-18H2,1H3,(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyRPKKEZMTYAFJKW-UHFFFAOYSA-N
MW381.64 g/mol
LogP2.57
Rot. Bonds18

About potassium;hydride;2-(octadecanoylamino)acetic acid

potassium;hydride;2-(octadecanoylamino)acetic acid (PubChem CID 174739574) has the molecular formula C20H40KNO3 and a molecular weight of 381.64 g/mol. Its IUPAC name is potassium;hydride;2-(octadecanoylamino)acetic acid.

Molecular Properties

Compound Namepotassium;hydride;2-(octadecanoylamino)acetic acid
PubChem CID174739574
Molecular FormulaC20H40KNO3
Molecular Weight381.64 g/mol
Exact Mass381.26
IUPAC Namepotassium;hydride;2-(octadecanoylamino)acetic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCC(=O)O.[H-].[K+]
InChIInChI=1S/C20H39NO3.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24;;/h2-18H2,1H3,(H,21,22)(H,23,24);;/q;+1;-1
InChIKeyRPKKEZMTYAFJKW-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.64
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
CID 87532133
2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid
CID 5353808
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-(10-deuteriodecanoylamino)acetic acid
CID 170555179
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
N-(hydroxymethyl)henicosanamide
CID 102116485
3-(docosanoylamino)propanoic acid
CID 45357432

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-(octadecanoylamino)acetic acid?
The IUPAC name of potassium;hydride;2-(octadecanoylamino)acetic acid (CID 174739574) is potassium;hydride;2-(octadecanoylamino)acetic acid.
What is the SMILES notation for potassium;hydride;2-(octadecanoylamino)acetic acid?
The canonical SMILES for potassium;hydride;2-(octadecanoylamino)acetic acid is CCCCCCCCCCCCCCCCCC(=O)NCC(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;2-(octadecanoylamino)acetic acid?
The InChIKey is RPKKEZMTYAFJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3.K.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24;;/h2-18H2,1H3,(H,21,22)(H,23,24);;/q;+1;-1.
What are the key properties of potassium;hydride;2-(octadecanoylamino)acetic acid?
potassium;hydride;2-(octadecanoylamino)acetic acid has a molecular weight of 381.64 g/mol, XLogP of 2.57, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-(octadecanoylamino)acetic acid is sourced from PubChem (CID 174739574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).