sodium 2-[bis(3-hydroxypropyl)amino]acetate

C8H16NNaO4 — CID 23683231

IUPACsodium 2-[bis(3-hydroxypropyl)amino]acetate
SMILESO=C([O-])CN(CCCO)CCCO.[Na+]
InChIInChI=1S/C8H17NO4.Na/c10-5-1-3-9(4-2-6-11)7-8(12)13;/h10-11H,1-7H2,(H,12,13);/q;+1/p-1
InChIKeyJSKGANIQEVHBPE-UHFFFAOYSA-M
MW213.21 g/mol
LogP-5.19
Rot. Bonds8

About sodium 2-[bis(3-hydroxypropyl)amino]acetate

sodium 2-[bis(3-hydroxypropyl)amino]acetate (PubChem CID 23683231) has the molecular formula C8H16NNaO4 and a molecular weight of 213.21 g/mol. Its IUPAC name is sodium 2-[bis(3-hydroxypropyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[bis(3-hydroxypropyl)amino]acetate
PubChem CID23683231
Molecular FormulaC8H16NNaO4
Molecular Weight213.21 g/mol
Exact Mass213.10
IUPAC Namesodium 2-[bis(3-hydroxypropyl)amino]acetate
SMILESO=C([O-])CN(CCCO)CCCO.[Na+]
InChIInChI=1S/C8H17NO4.Na/c10-5-1-3-9(4-2-6-11)7-8(12)13;/h10-11H,1-7H2,(H,12,13);/q;+1/p-1
InChIKeyJSKGANIQEVHBPE-UHFFFAOYSA-M
XLogP-5.19
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-5.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

potassium 2-[bis(2-hydroxyethyl)amino]acetate
CID 156705178
trisodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxyethyl)amino]acetate;dihydrate
CID 91886533
disodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;dodecahydrate
CID 173463557
tris(2-[3-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate);tetrakis(iron(3+))
CID 18424864
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
sodium;2-[carboxylatomethyl(2-hydroxyethyl)amino]acetate;iron(2+);hydrate
CID 158616989
CID 170997036
CID 170997036
trisodium;tris(2-[carboxymethyl-[2-[carboxymethyl(2-hydroxyethyl)amino]ethyl]amino]acetate)
CID 173437538
heptakis(2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate);pentakis(technetium(7+))
CID 173079714
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron
CID 18401221

Frequently Asked Questions

What is the IUPAC name of sodium 2-[bis(3-hydroxypropyl)amino]acetate?
The IUPAC name of sodium 2-[bis(3-hydroxypropyl)amino]acetate (CID 23683231) is sodium 2-[bis(3-hydroxypropyl)amino]acetate.
What is the SMILES notation for sodium 2-[bis(3-hydroxypropyl)amino]acetate?
The canonical SMILES for sodium 2-[bis(3-hydroxypropyl)amino]acetate is O=C([O-])CN(CCCO)CCCO.[Na+].
What is the InChIKey of sodium 2-[bis(3-hydroxypropyl)amino]acetate?
The InChIKey is JSKGANIQEVHBPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO4.Na/c10-5-1-3-9(4-2-6-11)7-8(12)13;/h10-11H,1-7H2,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-[bis(3-hydroxypropyl)amino]acetate?
sodium 2-[bis(3-hydroxypropyl)amino]acetate has a molecular weight of 213.21 g/mol, XLogP of -5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[bis(3-hydroxypropyl)amino]acetate is sourced from PubChem (CID 23683231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).