sodium;2-(hexadecanoylamino)acetic acid;hydride

C18H36NNaO3 — CID 173207705

IUPACsodium;2-(hexadecanoylamino)acetic acid;hydride
SMILESCCCCCCCCCCCCCCCC(=O)NCC(=O)O.[H-].[Na+]
InChIInChI=1S/C18H35NO3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22;;/h2-16H2,1H3,(H,19,20)(H,21,22);;/q;+1;-1
InChIKeyBYJPMNJHVFOHJL-UHFFFAOYSA-N
MW337.48 g/mol
LogP1.78
Rot. Bonds16

About sodium;2-(hexadecanoylamino)acetic acid;hydride

sodium;2-(hexadecanoylamino)acetic acid;hydride (PubChem CID 173207705) has the molecular formula C18H36NNaO3 and a molecular weight of 337.48 g/mol. Its IUPAC name is sodium;2-(hexadecanoylamino)acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-(hexadecanoylamino)acetic acid;hydride
PubChem CID173207705
Molecular FormulaC18H36NNaO3
Molecular Weight337.48 g/mol
Exact Mass337.26
IUPAC Namesodium;2-(hexadecanoylamino)acetic acid;hydride
SMILESCCCCCCCCCCCCCCCC(=O)NCC(=O)O.[H-].[Na+]
InChIInChI=1S/C18H35NO3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22;;/h2-16H2,1H3,(H,19,20)(H,21,22);;/q;+1;-1
InChIKeyBYJPMNJHVFOHJL-UHFFFAOYSA-N
XLogP1.78
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 51.78
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

potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
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
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
sodium 2-(decanoylamino)acetate
CID 23716190
disodium bis(2-(octadecanoylamino)acetate)
CID 141447181

Frequently Asked Questions

What is the IUPAC name of sodium;2-(hexadecanoylamino)acetic acid;hydride?
The IUPAC name of sodium;2-(hexadecanoylamino)acetic acid;hydride (CID 173207705) is sodium;2-(hexadecanoylamino)acetic acid;hydride.
What is the SMILES notation for sodium;2-(hexadecanoylamino)acetic acid;hydride?
The canonical SMILES for sodium;2-(hexadecanoylamino)acetic acid;hydride is CCCCCCCCCCCCCCCC(=O)NCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-(hexadecanoylamino)acetic acid;hydride?
The InChIKey is BYJPMNJHVFOHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO3.Na.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22;;/h2-16H2,1H3,(H,19,20)(H,21,22);;/q;+1;-1.
What are the key properties of sodium;2-(hexadecanoylamino)acetic acid;hydride?
sodium;2-(hexadecanoylamino)acetic acid;hydride has a molecular weight of 337.48 g/mol, XLogP of 1.78, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(hexadecanoylamino)acetic acid;hydride is sourced from PubChem (CID 173207705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).