azane;2-(methylamino)ethane-1,1,1-triol;dihydrate

C3H16N2O5 — CID 174619315

IUPACazane;2-(methylamino)ethane-1,1,1-triol;dihydrate
SMILESCNCC(O)(O)O.N.O.O
InChIInChI=1S/C3H9NO3.H3N.2H2O/c1-4-2-3(5,6)7;;;/h4-7H,2H2,1H3;1H3;2*1H2
InChIKeyKLGANOGPKWZECA-UHFFFAOYSA-N
MW160.17 g/mol
LogP-3.65
Rot. Bonds2

About azane;2-(methylamino)ethane-1,1,1-triol;dihydrate

azane;2-(methylamino)ethane-1,1,1-triol;dihydrate (PubChem CID 174619315) has the molecular formula C3H16N2O5 and a molecular weight of 160.17 g/mol. Its IUPAC name is azane;2-(methylamino)ethane-1,1,1-triol;dihydrate.

Molecular Properties

Compound Nameazane;2-(methylamino)ethane-1,1,1-triol;dihydrate
PubChem CID174619315
Molecular FormulaC3H16N2O5
Molecular Weight160.17 g/mol
Exact Mass160.11
IUPAC Nameazane;2-(methylamino)ethane-1,1,1-triol;dihydrate
SMILESCNCC(O)(O)O.N.O.O
InChIInChI=1S/C3H9NO3.H3N.2H2O/c1-4-2-3(5,6)7;;;/h4-7H,2H2,1H3;1H3;2*1H2
InChIKeyKLGANOGPKWZECA-UHFFFAOYSA-N
XLogP-3.65
TPSA170.72 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-3.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethane-1,1,1-triol;oxalic acid
CID 87192697
bis(2-(methylamino)ethane-1,1,1-triol);oxalic acid
CID 173028375
2,3,3-trimethyl-1-(methylamino)butan-2-ol
CID 80559172
2-amino-1-(methylamino)propan-2-ol
CID 126635674
3,3-difluoro-2-methyl-1-(methylamino)butan-2-ol
CID 168906606
2-amino-2-(methylaminomethyl)propane-1,3-diol
CID 154814545
N,2-dimethyl-2-methylsulfanylpropan-1-amine;hydrochloride
CID 126844411
2-(dimethylamino)-1-(methylamino)pentan-2-ol
CID 174871544
2-(hydroxymethylamino)ethane-1,1,1-triol
CID 141135778
2-ethyl-N,N'-dimethyl-2-(methylaminomethyl)propane-1,3-diamine
CID 59289836
1-(methylamino)-2-propoxypropan-2-ol
CID 88554257
2,2-dimethyl-3-(methylamino)propanoic acid
CID 21458635

Frequently Asked Questions

What is the IUPAC name of azane;2-(methylamino)ethane-1,1,1-triol;dihydrate?
The IUPAC name of azane;2-(methylamino)ethane-1,1,1-triol;dihydrate (CID 174619315) is azane;2-(methylamino)ethane-1,1,1-triol;dihydrate.
What is the SMILES notation for azane;2-(methylamino)ethane-1,1,1-triol;dihydrate?
The canonical SMILES for azane;2-(methylamino)ethane-1,1,1-triol;dihydrate is CNCC(O)(O)O.N.O.O.
What is the InChIKey of azane;2-(methylamino)ethane-1,1,1-triol;dihydrate?
The InChIKey is KLGANOGPKWZECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3.H3N.2H2O/c1-4-2-3(5,6)7;;;/h4-7H,2H2,1H3;1H3;2*1H2.
What are the key properties of azane;2-(methylamino)ethane-1,1,1-triol;dihydrate?
azane;2-(methylamino)ethane-1,1,1-triol;dihydrate has a molecular weight of 160.17 g/mol, XLogP of -3.65, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(methylamino)ethane-1,1,1-triol;dihydrate is sourced from PubChem (CID 174619315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).