sodium 2-(hydroxymethylamino)acetate

C3H6NNaO3 — CID 23664641

IUPACsodium 2-(hydroxymethylamino)acetate
SMILESO=C([O-])CNCO.[Na+]
InChIInChI=1S/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeyCITBNDNUEPMTFC-UHFFFAOYSA-M
MW127.08 g/mol
LogP-5.72
Rot. Bonds3

About sodium 2-(hydroxymethylamino)acetate

sodium 2-(hydroxymethylamino)acetate (PubChem CID 23664641) has the molecular formula C3H6NNaO3 and a molecular weight of 127.08 g/mol. Its IUPAC name is sodium 2-(hydroxymethylamino)acetate.

Molecular Properties

Compound Namesodium 2-(hydroxymethylamino)acetate
PubChem CID23664641
Molecular FormulaC3H6NNaO3
Molecular Weight127.08 g/mol
Exact Mass127.02
IUPAC Namesodium 2-(hydroxymethylamino)acetate
SMILESO=C([O-])CNCO.[Na+]
InChIInChI=1S/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);/q;+1/p-1
InChIKeyCITBNDNUEPMTFC-UHFFFAOYSA-M
XLogP-5.72
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.08
LogP ≤ 5-5.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(hydroxymethylamino)acetate?
The IUPAC name of sodium 2-(hydroxymethylamino)acetate (CID 23664641) is sodium 2-(hydroxymethylamino)acetate.
What is the SMILES notation for sodium 2-(hydroxymethylamino)acetate?
The canonical SMILES for sodium 2-(hydroxymethylamino)acetate is O=C([O-])CNCO.[Na+].
What is the InChIKey of sodium 2-(hydroxymethylamino)acetate?
The InChIKey is CITBNDNUEPMTFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO3.Na/c5-2-4-1-3(6)7;/h4-5H,1-2H2,(H,6,7);/q;+1/p-1.
What are the key properties of sodium 2-(hydroxymethylamino)acetate?
sodium 2-(hydroxymethylamino)acetate has a molecular weight of 127.08 g/mol, XLogP of -5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(hydroxymethylamino)acetate is sourced from PubChem (CID 23664641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).