sodium;hydride;methyl 2-(dodecanoylamino)acetate

C15H30NNaO3 — CID 175291448

IUPACsodium;hydride;methyl 2-(dodecanoylamino)acetate
SMILESCCCCCCCCCCCC(=O)NCC(=O)OC.[H-].[Na+]
InChIInChI=1S/C15H29NO3.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19-2;;/h3-13H2,1-2H3,(H,16,17);;/q;+1;-1
InChIKeyFPRVHOJHZYQVDC-UHFFFAOYSA-N
MW295.40 g/mol
LogP0.31
Rot. Bonds12

About sodium;hydride;methyl 2-(dodecanoylamino)acetate

sodium;hydride;methyl 2-(dodecanoylamino)acetate (PubChem CID 175291448) has the molecular formula C15H30NNaO3 and a molecular weight of 295.40 g/mol. Its IUPAC name is sodium;hydride;methyl 2-(dodecanoylamino)acetate.

Molecular Properties

Compound Namesodium;hydride;methyl 2-(dodecanoylamino)acetate
PubChem CID175291448
Molecular FormulaC15H30NNaO3
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Namesodium;hydride;methyl 2-(dodecanoylamino)acetate
SMILESCCCCCCCCCCCC(=O)NCC(=O)OC.[H-].[Na+]
InChIInChI=1S/C15H29NO3.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19-2;;/h3-13H2,1-2H3,(H,16,17);;/q;+1;-1
InChIKeyFPRVHOJHZYQVDC-UHFFFAOYSA-N
XLogP0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 50.31
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

methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;methyl 3-(dodecanoylamino)propanoate
CID 174895394
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718
methyl 5-(octadecanoylamino)pentanoate
CID 155660844
methyl 6-(nonanoylamino)hexanoate
CID 43423430
methyl 10-(octadecanoylamino)decanoate
CID 54073329
methyl 4-(tridecanoylamino)butanoate
CID 101398455
disodium bis(2-(octadecanoylamino)acetate)
CID 141447181
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
sodium 2-(decanoylamino)acetate
CID 23716190
methyl 2-[[2-[2-(decanoylamino)propanoylamino]acetyl]amino]acetate
CID 607811

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methyl 2-(dodecanoylamino)acetate?
The IUPAC name of sodium;hydride;methyl 2-(dodecanoylamino)acetate (CID 175291448) is sodium;hydride;methyl 2-(dodecanoylamino)acetate.
What is the SMILES notation for sodium;hydride;methyl 2-(dodecanoylamino)acetate?
The canonical SMILES for sodium;hydride;methyl 2-(dodecanoylamino)acetate is CCCCCCCCCCCC(=O)NCC(=O)OC.[H-].[Na+].
What is the InChIKey of sodium;hydride;methyl 2-(dodecanoylamino)acetate?
The InChIKey is FPRVHOJHZYQVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3.Na.H/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13-15(18)19-2;;/h3-13H2,1-2H3,(H,16,17);;/q;+1;-1.
What are the key properties of sodium;hydride;methyl 2-(dodecanoylamino)acetate?
sodium;hydride;methyl 2-(dodecanoylamino)acetate has a molecular weight of 295.40 g/mol, XLogP of 0.31, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methyl 2-(dodecanoylamino)acetate is sourced from PubChem (CID 175291448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).