sodium 2-(2-oxopentadecylamino)acetate

C17H32NNaO3 — CID 87777451

IUPACsodium 2-(2-oxopentadecylamino)acetate
SMILESCCCCCCCCCCCCCC(=O)CNCC(=O)[O-].[Na+]
InChIInChI=1S/C17H33NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-18-15-17(20)21;/h18H,2-15H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyDONVGTHTQJQEDC-UHFFFAOYSA-M
MW321.44 g/mol
LogP-0.40
Rot. Bonds16

About sodium 2-(2-oxopentadecylamino)acetate

sodium 2-(2-oxopentadecylamino)acetate (PubChem CID 87777451) has the molecular formula C17H32NNaO3 and a molecular weight of 321.44 g/mol. Its IUPAC name is sodium 2-(2-oxopentadecylamino)acetate.

Molecular Properties

Compound Namesodium 2-(2-oxopentadecylamino)acetate
PubChem CID87777451
Molecular FormulaC17H32NNaO3
Molecular Weight321.44 g/mol
Exact Mass321.23
IUPAC Namesodium 2-(2-oxopentadecylamino)acetate
SMILESCCCCCCCCCCCCCC(=O)CNCC(=O)[O-].[Na+]
InChIInChI=1S/C17H33NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-18-15-17(20)21;/h18H,2-15H2,1H3,(H,20,21);/q;+1/p-1
InChIKeyDONVGTHTQJQEDC-UHFFFAOYSA-M
XLogP-0.40
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium 3-(2-oxononadecylamino)propanoate
CID 139910569
sodium 3-oxooctadecanoate
CID 155047798
sodium hentriacontanoate
CID 139987799
sodium heptadecanoate
CID 23663632
sodium pentadecanoate
CID 23663638
1-(propylamino)tetradecan-2-one
CID 116562895
3-oxotriacontanoate
CID 171037411
disodium;hexadecanoate;hydride
CID 175497394
sodium;carbane;octanoate
CID 88711912
lithium;sodium;bis(octadecanoate)
CID 159275770
trisodium;octadecanoate;carbonate
CID 162024794
sodium;azane;dodecanoate
CID 23690680

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-oxopentadecylamino)acetate?
The IUPAC name of sodium 2-(2-oxopentadecylamino)acetate (CID 87777451) is sodium 2-(2-oxopentadecylamino)acetate.
What is the SMILES notation for sodium 2-(2-oxopentadecylamino)acetate?
The canonical SMILES for sodium 2-(2-oxopentadecylamino)acetate is CCCCCCCCCCCCCC(=O)CNCC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-(2-oxopentadecylamino)acetate?
The InChIKey is DONVGTHTQJQEDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H33NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-18-15-17(20)21;/h18H,2-15H2,1H3,(H,20,21);/q;+1/p-1.
What are the key properties of sodium 2-(2-oxopentadecylamino)acetate?
sodium 2-(2-oxopentadecylamino)acetate has a molecular weight of 321.44 g/mol, XLogP of -0.40, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-oxopentadecylamino)acetate is sourced from PubChem (CID 87777451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).