sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride

C6H12NNaO5 — CID 174559731

IUPACsodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride
SMILESCC(=O)ON(CCO)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H11NO5.Na.H/c1-5(9)12-7(2-3-8)4-6(10)11;;/h8H,2-4H2,1H3,(H,10,11);;/q;+1;-1
InChIKeyGTUDLCVMFNLNQY-UHFFFAOYSA-N
MW201.15 g/mol
LogP-4.04
Rot. Bonds5

About sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride

sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride (PubChem CID 174559731) has the molecular formula C6H12NNaO5 and a molecular weight of 201.15 g/mol. Its IUPAC name is sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride.

Molecular Properties

Compound Namesodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride
PubChem CID174559731
Molecular FormulaC6H12NNaO5
Molecular Weight201.15 g/mol
Exact Mass201.06
IUPAC Namesodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride
SMILESCC(=O)ON(CCO)CC(=O)O.[H-].[Na+]
InChIInChI=1S/C6H11NO5.Na.H/c1-5(9)12-7(2-3-8)4-6(10)11;;/h8H,2-4H2,1H3,(H,10,11);;/q;+1;-1
InChIKeyGTUDLCVMFNLNQY-UHFFFAOYSA-N
XLogP-4.04
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 5-4.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hexasodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173154313
potassium;2-[2-aminoethyl(ethoxy)amino]acetic acid;hydride
CID 174575586
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
CID 87469111
CID 87469111
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
magnesium;disodium;bis(2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid);hydride
CID 173152374
2-[ethyl(methoxy)amino]acetic acid
CID 87131030
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;acetate
CID 87075460
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 61208217

Frequently Asked Questions

What is the IUPAC name of sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride?
The IUPAC name of sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride (CID 174559731) is sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride.
What is the SMILES notation for sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride?
The canonical SMILES for sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride is CC(=O)ON(CCO)CC(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride?
The InChIKey is GTUDLCVMFNLNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5.Na.H/c1-5(9)12-7(2-3-8)4-6(10)11;;/h8H,2-4H2,1H3,(H,10,11);;/q;+1;-1.
What are the key properties of sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride?
sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride has a molecular weight of 201.15 g/mol, XLogP of -4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-[acetyloxy(2-hydroxyethyl)amino]acetic acid;hydride is sourced from PubChem (CID 174559731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).