sodium 2-(2-hydroxyethylamino)acetic acid

C4H9NNaO3+ — CID 22056559

IUPACsodium 2-(2-hydroxyethylamino)acetic acid
SMILESO=C(O)CNCCO.[Na+]
InChIInChI=1S/C4H9NO3.Na/c6-2-1-5-3-4(7)8;/h5-6H,1-3H2,(H,7,8);/q;+1
InChIKeyUILYXOTXWSYIHA-UHFFFAOYSA-N
MW142.11 g/mol
LogP-4.34
Rot. Bonds4

About sodium 2-(2-hydroxyethylamino)acetic acid

sodium 2-(2-hydroxyethylamino)acetic acid (PubChem CID 22056559) has the molecular formula C4H9NNaO3+ and a molecular weight of 142.11 g/mol. Its IUPAC name is sodium 2-(2-hydroxyethylamino)acetic acid.

Molecular Properties

Compound Namesodium 2-(2-hydroxyethylamino)acetic acid
PubChem CID22056559
Molecular FormulaC4H9NNaO3+
Molecular Weight142.11 g/mol
Exact Mass142.05
IUPAC Namesodium 2-(2-hydroxyethylamino)acetic acid
SMILESO=C(O)CNCCO.[Na+]
InChIInChI=1S/C4H9NO3.Na/c6-2-1-5-3-4(7)8;/h5-6H,1-3H2,(H,7,8);/q;+1
InChIKeyUILYXOTXWSYIHA-UHFFFAOYSA-N
XLogP-4.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-4.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethylamino)acetic acid;phosphane
CID 174633538
sodium 2-(3-hydroxypropylamino)acetic acid
CID 21242628
2-(4-hydroxybutylamino)acetic acid
CID 22121765
sodium 2-(2-hydroxyethylamino)acetate
CID 23668304
CID 172719967
CID 172719967
sodium;2-(carboxymethylamino)acetic acid;hydride
CID 173003718
carbonic acid;bis(2-(2-hydroxyethylamino)ethanol)
CID 163568127
2-(carboxymethylamino)acetic acid
CID 8897
trisodium;2-(carboxymethylamino)acetic acid;hydride;hydrate
CID 174463163
3-(carboxymethylamino)propanoic acid;ethane
CID 143762125
2-[2-(2-hydroxyprop-2-enylamino)ethylamino]acetic acid
CID 89408720
2-(2-chloroethylamino)acetic acid
CID 19860488

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-hydroxyethylamino)acetic acid?
The IUPAC name of sodium 2-(2-hydroxyethylamino)acetic acid (CID 22056559) is sodium 2-(2-hydroxyethylamino)acetic acid.
What is the SMILES notation for sodium 2-(2-hydroxyethylamino)acetic acid?
The canonical SMILES for sodium 2-(2-hydroxyethylamino)acetic acid is O=C(O)CNCCO.[Na+].
What is the InChIKey of sodium 2-(2-hydroxyethylamino)acetic acid?
The InChIKey is UILYXOTXWSYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.Na/c6-2-1-5-3-4(7)8;/h5-6H,1-3H2,(H,7,8);/q;+1.
What are the key properties of sodium 2-(2-hydroxyethylamino)acetic acid?
sodium 2-(2-hydroxyethylamino)acetic acid has a molecular weight of 142.11 g/mol, XLogP of -4.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-hydroxyethylamino)acetic acid is sourced from PubChem (CID 22056559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).