sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride

C17H34NNaO4 — CID 174049778

IUPACsodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride
SMILESCCCCCCCCCCCC(=O)N(CCO)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C17H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-16(20)18(14-15-19)13-12-17(21)22;;/h19H,2-15H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyQLJIOZJFPPHDFC-UHFFFAOYSA-N
MW339.45 g/mol
LogP0.32
Rot. Bonds15

About sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride

sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride (PubChem CID 174049778) has the molecular formula C17H34NNaO4 and a molecular weight of 339.45 g/mol. Its IUPAC name is sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride
PubChem CID174049778
Molecular FormulaC17H34NNaO4
Molecular Weight339.45 g/mol
Exact Mass339.24
IUPAC Namesodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride
SMILESCCCCCCCCCCCC(=O)N(CCO)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C17H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-16(20)18(14-15-19)13-12-17(21)22;;/h19H,2-15H2,1H3,(H,21,22);;/q;+1;-1
InChIKeyQLJIOZJFPPHDFC-UHFFFAOYSA-N
XLogP0.32
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
5-[hexadecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 4249271
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621
3-[2-carboxyethyl-[2-[2-carboxyethyl(decanoyl)amino]ethyl]amino]propanoic acid
CID 19347829
N,N-bis(2-hydroxyethyl)dodecanamide;2-(2-hydroxyethylamino)ethanol
CID 56843583
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
3-[decanoyl(2-oxoundecyl)amino]propanoic acid
CID 139936744
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
3-[6-[2-carboxyethyl(tridecanoyl)amino]hexylamino]propanoic acid
CID 21328693
N,N,N',N'-tetraoctylhexanediamide
CID 18938545

Frequently Asked Questions

What is the IUPAC name of sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride?
The IUPAC name of sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride (CID 174049778) is sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride.
What is the SMILES notation for sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride?
The canonical SMILES for sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride is CCCCCCCCCCCC(=O)N(CCO)CCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride?
The InChIKey is QLJIOZJFPPHDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO4.Na.H/c1-2-3-4-5-6-7-8-9-10-11-16(20)18(14-15-19)13-12-17(21)22;;/h19H,2-15H2,1H3,(H,21,22);;/q;+1;-1.
What are the key properties of sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride?
sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride has a molecular weight of 339.45 g/mol, XLogP of 0.32, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[dodecanoyl(2-hydroxyethyl)amino]propanoic acid;hydride is sourced from PubChem (CID 174049778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).