disodium;2-aminoacetate;2-aminoacetic acid;methanol

C5H12N2Na2O5 — CID 174881838

IUPACdisodium;2-aminoacetate;2-aminoacetic acid;methanol
SMILESNCC(=O)O.NCC(=O)[O-].[CH2-]O.[Na+].[Na+]
InChIInChI=1S/2C2H5NO2.CH3O.2Na/c2*3-1-2(4)5;1-2;;/h2*1,3H2,(H,4,5);2H,1H2;;/q;;-1;2*+1/p-1
InChIKeyQVFPLQNHFOEMRK-UHFFFAOYSA-M
MW226.14 g/mol
LogP-9.12
Rot. Bonds2

About disodium;2-aminoacetate;2-aminoacetic acid;methanol

disodium;2-aminoacetate;2-aminoacetic acid;methanol (PubChem CID 174881838) has the molecular formula C5H12N2Na2O5 and a molecular weight of 226.14 g/mol. Its IUPAC name is disodium;2-aminoacetate;2-aminoacetic acid;methanol.

Molecular Properties

Compound Namedisodium;2-aminoacetate;2-aminoacetic acid;methanol
PubChem CID174881838
Molecular FormulaC5H12N2Na2O5
Molecular Weight226.14 g/mol
Exact Mass226.05
IUPAC Namedisodium;2-aminoacetate;2-aminoacetic acid;methanol
SMILESNCC(=O)O.NCC(=O)[O-].[CH2-]O.[Na+].[Na+]
InChIInChI=1S/2C2H5NO2.CH3O.2Na/c2*3-1-2(4)5;1-2;;/h2*1,3H2,(H,4,5);2H,1H2;;/q;;-1;2*+1/p-1
InChIKeyQVFPLQNHFOEMRK-UHFFFAOYSA-M
XLogP-9.12
TPSA149.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 5-9.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-aminoacetate;2-aminoacetic acid;copper(1+)
CID 156597297
disodium;2-aminoacetic acid;hydrogen carbonate;hydroxide
CID 174055066
magnesium;2-aminoacetic acid;diacetate
CID 172709967
trisodium;2-aminoacetate;diacetate
CID 20975811
sodium;2-aminoacetate;chromium(3+);trichloride
CID 24848593
sodium;2-aminoacetate;methanol
CID 175901893
tris(2-aminoacetate);copper
CID 158701626
2-aminoacetate;rubidium(1+)
CID 59119233
sodium;2-aminoacetic acid;bromide
CID 174820906
aluminum tris(2-aminoacetate)
CID 6452712
tetrakis(2-aminoacetate);cobalt(2+);nickel(2+)
CID 175457538
tetrakis(2-aminoacetate);zirconium(4+);hydrochloride
CID 173139995

Frequently Asked Questions

What is the IUPAC name of disodium;2-aminoacetate;2-aminoacetic acid;methanol?
The IUPAC name of disodium;2-aminoacetate;2-aminoacetic acid;methanol (CID 174881838) is disodium;2-aminoacetate;2-aminoacetic acid;methanol.
What is the SMILES notation for disodium;2-aminoacetate;2-aminoacetic acid;methanol?
The canonical SMILES for disodium;2-aminoacetate;2-aminoacetic acid;methanol is NCC(=O)O.NCC(=O)[O-].[CH2-]O.[Na+].[Na+].
What is the InChIKey of disodium;2-aminoacetate;2-aminoacetic acid;methanol?
The InChIKey is QVFPLQNHFOEMRK-UHFFFAOYSA-M. The full InChI is InChI=1S/2C2H5NO2.CH3O.2Na/c2*3-1-2(4)5;1-2;;/h2*1,3H2,(H,4,5);2H,1H2;;/q;;-1;2*+1/p-1.
What are the key properties of disodium;2-aminoacetate;2-aminoacetic acid;methanol?
disodium;2-aminoacetate;2-aminoacetic acid;methanol has a molecular weight of 226.14 g/mol, XLogP of -9.12, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-aminoacetate;2-aminoacetic acid;methanol is sourced from PubChem (CID 174881838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).