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

C13H28NNaO3 — CID 175041251

IUPACsodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
SMILESCCCCC(CC)CN(CCO)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C13H27NO3.Na.H/c1-3-5-6-12(4-2)11-14(9-10-15)8-7-13(16)17;;/h12,15H,3-11H2,1-2H3,(H,16,17);;/q;+1;-1
InChIKeyZCVNHXGRPHOOQV-UHFFFAOYSA-N
MW269.36 g/mol
LogP-0.91
Rot. Bonds11

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

sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride (PubChem CID 175041251) has the molecular formula C13H28NNaO3 and a molecular weight of 269.36 g/mol. Its IUPAC name is sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride.

Molecular Properties

Compound Namesodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
PubChem CID175041251
Molecular FormulaC13H28NNaO3
Molecular Weight269.36 g/mol
Exact Mass269.20
IUPAC Namesodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride
SMILESCCCCC(CC)CN(CCO)CCC(=O)O.[H-].[Na+]
InChIInChI=1S/C13H27NO3.Na.H/c1-3-5-6-12(4-2)11-14(9-10-15)8-7-13(16)17;;/h12,15H,3-11H2,1-2H3,(H,16,17);;/q;+1;-1
InChIKeyZCVNHXGRPHOOQV-UHFFFAOYSA-N
XLogP-0.91
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-butylhexyl(2-hydroxyethyl)amino]ethanol
CID 143083923
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997
3-[2-hydroxyethyl-[(2R)-2-hydroxytetradecyl]amino]propanoic acid
CID 99119531
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
3-[hexyl(2-hydroxyethyl)amino]propanoic acid
CID 82329561
butanedioic acid;2-ethylhexan-1-ol
CID 159770263
butyl 3-[butyl(2-ethylhexyl)amino]propanoate
CID 87784711
2-[benzyl(2-ethylhexyl)amino]ethanol
CID 55192095
2-[bis[2-(2-ethylhexylamino)ethyl]amino]acetic acid
CID 139906477
3-[2-(decylamino)ethyl-(2-hydroxyethyl)amino]propanoic acid
CID 150216454
butyl 3-[dodecyl(2-ethylhexyl)amino]propanoate
CID 87784865

Frequently Asked Questions

What is the IUPAC name of sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride?
The IUPAC name of sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride (CID 175041251) is sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride.
What is the SMILES notation for sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride?
The canonical SMILES for sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride is CCCCC(CC)CN(CCO)CCC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride?
The InChIKey is ZCVNHXGRPHOOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3.Na.H/c1-3-5-6-12(4-2)11-14(9-10-15)8-7-13(16)17;;/h12,15H,3-11H2,1-2H3,(H,16,17);;/q;+1;-1.
What are the key properties of sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride?
sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride has a molecular weight of 269.36 g/mol, XLogP of -0.91, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-[2-ethylhexyl(2-hydroxyethyl)amino]propanoic acid;hydride is sourced from PubChem (CID 175041251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).