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

C8H16NNaO4 — CID 23683241

IUPACsodium 2-[bis(2-hydroxypropyl)amino]acetate
SMILESCC(O)CN(CC(=O)[O-])CC(C)O.[Na+]
InChIInChI=1S/C8H17NO4.Na/c1-6(10)3-9(4-7(2)11)5-8(12)13;/h6-7,10-11H,3-5H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyJAQUMLYOCRDEJI-UHFFFAOYSA-M
MW213.21 g/mol
LogP-5.20
Rot. Bonds6

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

sodium 2-[bis(2-hydroxypropyl)amino]acetate (PubChem CID 23683241) has the molecular formula C8H16NNaO4 and a molecular weight of 213.21 g/mol. Its IUPAC name is sodium 2-[bis(2-hydroxypropyl)amino]acetate.

Molecular Properties

Compound Namesodium 2-[bis(2-hydroxypropyl)amino]acetate
PubChem CID23683241
Molecular FormulaC8H16NNaO4
Molecular Weight213.21 g/mol
Exact Mass213.10
IUPAC Namesodium 2-[bis(2-hydroxypropyl)amino]acetate
SMILESCC(O)CN(CC(=O)[O-])CC(C)O.[Na+]
InChIInChI=1S/C8H17NO4.Na/c1-6(10)3-9(4-7(2)11)5-8(12)13;/h6-7,10-11H,3-5H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyJAQUMLYOCRDEJI-UHFFFAOYSA-M
XLogP-5.20
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 5-5.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
CID 72992136
disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
tetrasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(2-hydroxy-2-oxidoethyl)amino]acetate
CID 86567698
sodium 2-(dimethylamino)acetate
CID 23695761
disodium;2-[carboxylatomethyl(hydroxymethyl)amino]acetate
CID 15217912
heptasodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 23616700
1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
CID 163906636
trimagnesium bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 155804082
tris(barium(2+));bis(2-[bis(carboxylatomethyl)amino]acetate)
CID 172778112
2-[carboxymethyl(2-hydroxypropyl)amino]acetic acid;manganese;trihydrate
CID 58773320
magnesium;sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate
CID 21123918
sodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;chromium(3+)
CID 11574111

Frequently Asked Questions

What is the IUPAC name of sodium 2-[bis(2-hydroxypropyl)amino]acetate?
The IUPAC name of sodium 2-[bis(2-hydroxypropyl)amino]acetate (CID 23683241) is sodium 2-[bis(2-hydroxypropyl)amino]acetate.
What is the SMILES notation for sodium 2-[bis(2-hydroxypropyl)amino]acetate?
The canonical SMILES for sodium 2-[bis(2-hydroxypropyl)amino]acetate is CC(O)CN(CC(=O)[O-])CC(C)O.[Na+].
What is the InChIKey of sodium 2-[bis(2-hydroxypropyl)amino]acetate?
The InChIKey is JAQUMLYOCRDEJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO4.Na/c1-6(10)3-9(4-7(2)11)5-8(12)13;/h6-7,10-11H,3-5H2,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-[bis(2-hydroxypropyl)amino]acetate?
sodium 2-[bis(2-hydroxypropyl)amino]acetate has a molecular weight of 213.21 g/mol, XLogP of -5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[bis(2-hydroxypropyl)amino]acetate is sourced from PubChem (CID 23683241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).