sodium 2-[2-hydroxydodecyl(methyl)amino]acetate

C15H30NNaO3 — CID 102330391

IUPACsodium 2-[2-hydroxydodecyl(methyl)amino]acetate
SMILESCCCCCCCCCCC(O)CN(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-14(17)12-16(2)13-15(18)19;/h14,17H,3-13H2,1-2H3,(H,18,19);/q;+1/p-1
InChIKeySVXRTIWJKQIFFV-UHFFFAOYSA-M
MW295.40 g/mol
LogP-1.44
Rot. Bonds13

About sodium 2-[2-hydroxydodecyl(methyl)amino]acetate

sodium 2-[2-hydroxydodecyl(methyl)amino]acetate (PubChem CID 102330391) has the molecular formula C15H30NNaO3 and a molecular weight of 295.40 g/mol. Its IUPAC name is sodium 2-[2-hydroxydodecyl(methyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[2-hydroxydodecyl(methyl)amino]acetate
PubChem CID102330391
Molecular FormulaC15H30NNaO3
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Namesodium 2-[2-hydroxydodecyl(methyl)amino]acetate
SMILESCCCCCCCCCCC(O)CN(C)CC(=O)[O-].[Na+]
InChIInChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-14(17)12-16(2)13-15(18)19;/h14,17H,3-13H2,1-2H3,(H,18,19);/q;+1/p-1
InChIKeySVXRTIWJKQIFFV-UHFFFAOYSA-M
XLogP-1.44
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 5-1.44
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 N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)-N-methylglycinate
CID 44146146
2-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl)-methylamino]acetic acid
CID 44146147
2-[1-Hydroxydodecyl(methyl)amino]acetic acid
CID 19831662
Sodium N-(2-hydroxydodecyl)-N-(2-hydroxyethyl)-beta-alaninate
CID 44150889
Sodium N-(2-hydroxydodecyl)-N-methyl-beta-alaninate
CID 56842619
1-Dodecanaminium, N-(carboxymethyl)-2-hydroxy-N,N-dimethyl-, inner salt
CID 71587202
2-[2-Hydroxyhexadecyl(dimethyl)azaniumyl]acetate
CID 88682145
2-[4,7-Bis(carboxymethyl)-10-(2-hydroxyhexadecyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 9987569
N-(6-hydroxyhexyl)iminodiacetic acid
CID 23422582
Sodium N-(2-hydroxyethyl)-N-(2-hydroxyoctadecyl)-beta-alaninate
CID 44145441
Sodium N-(2-hydroxyethyl)-N-(2-hydroxytetradecyl)-beta-alaninate
CID 44148675
Sodium N-(2-hydroxyethyl)-N-(2-hydroxyhexadecyl)-beta-alaninate
CID 44148781

Frequently Asked Questions

What is the IUPAC name of sodium 2-[2-hydroxydodecyl(methyl)amino]acetate?
The IUPAC name of sodium 2-[2-hydroxydodecyl(methyl)amino]acetate (CID 102330391) is sodium 2-[2-hydroxydodecyl(methyl)amino]acetate.
What is the SMILES notation for sodium 2-[2-hydroxydodecyl(methyl)amino]acetate?
The canonical SMILES for sodium 2-[2-hydroxydodecyl(methyl)amino]acetate is CCCCCCCCCCC(O)CN(C)CC(=O)[O-].[Na+].
What is the InChIKey of sodium 2-[2-hydroxydodecyl(methyl)amino]acetate?
The InChIKey is SVXRTIWJKQIFFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H31NO3.Na/c1-3-4-5-6-7-8-9-10-11-14(17)12-16(2)13-15(18)19;/h14,17H,3-13H2,1-2H3,(H,18,19);/q;+1/p-1.
What are the key properties of sodium 2-[2-hydroxydodecyl(methyl)amino]acetate?
sodium 2-[2-hydroxydodecyl(methyl)amino]acetate has a molecular weight of 295.40 g/mol, XLogP of -1.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[2-hydroxydodecyl(methyl)amino]acetate is sourced from PubChem (CID 102330391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).