sodium 2-(decanoylamino)acetate

C12H22NNaO3 — CID 23716190

IUPACsodium 2-(decanoylamino)acetate
SMILESCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]
InChIInChI=1S/C12H23NO3.Na/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyPPGDKNYZDLSHTJ-UHFFFAOYSA-M
MW251.30 g/mol
LogP-2.00
Rot. Bonds10

About sodium 2-(decanoylamino)acetate

sodium 2-(decanoylamino)acetate (PubChem CID 23716190) has the molecular formula C12H22NNaO3 and a molecular weight of 251.30 g/mol. Its IUPAC name is sodium 2-(decanoylamino)acetate.

Molecular Properties

Compound Namesodium 2-(decanoylamino)acetate
PubChem CID23716190
Molecular FormulaC12H22NNaO3
Molecular Weight251.30 g/mol
Exact Mass251.15
IUPAC Namesodium 2-(decanoylamino)acetate
SMILESCCCCCCCCCC(=O)NCC(=O)[O-].[Na+]
InChIInChI=1S/C12H23NO3.Na/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyPPGDKNYZDLSHTJ-UHFFFAOYSA-M
XLogP-2.00
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 5-2.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
copper bis(2-(octanoylamino)acetate)
CID 88618270
magnesium bis(2-(dodecanoylamino)acetate)
CID 140975792
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
N-(hydroxymethyl)henicosanamide
CID 102116485
zinc bis(2-(butanoylamino)acetate)
CID 157281731
calcium bis(3-(hexadecanoylamino)propanoate)
CID 139890538
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407

Frequently Asked Questions

What is the IUPAC name of sodium 2-(decanoylamino)acetate?
The IUPAC name of sodium 2-(decanoylamino)acetate (CID 23716190) is sodium 2-(decanoylamino)acetate.
What is the SMILES notation for sodium 2-(decanoylamino)acetate?
The canonical SMILES for sodium 2-(decanoylamino)acetate is CCCCCCCCCC(=O)NCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(decanoylamino)acetate?
The InChIKey is PPGDKNYZDLSHTJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H23NO3.Na/c1-2-3-4-5-6-7-8-9-11(14)13-10-12(15)16;/h2-10H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1.
What are the key properties of sodium 2-(decanoylamino)acetate?
sodium 2-(decanoylamino)acetate has a molecular weight of 251.30 g/mol, XLogP of -2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(decanoylamino)acetate is sourced from PubChem (CID 23716190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).