2-aminoethane-1,1,1,2-tetrol;hydrochloride

C2H8ClNO4 — CID 173410323

IUPAC2-aminoethane-1,1,1,2-tetrol;hydrochloride
SMILESCl.NC(O)C(O)(O)O
InChIInChI=1S/C2H7NO4.ClH/c3-1(4)2(5,6)7;/h1,4-7H,3H2;1H
InChIKeyBKZLGWURGVCIFE-UHFFFAOYSA-N
MW145.54 g/mol
LogP-2.68
Rot. Bonds1

About 2-aminoethane-1,1,1,2-tetrol;hydrochloride

2-aminoethane-1,1,1,2-tetrol;hydrochloride (PubChem CID 173410323) has the molecular formula C2H8ClNO4 and a molecular weight of 145.54 g/mol. Its IUPAC name is 2-aminoethane-1,1,1,2-tetrol;hydrochloride.

Molecular Properties

Compound Name2-aminoethane-1,1,1,2-tetrol;hydrochloride
PubChem CID173410323
Molecular FormulaC2H8ClNO4
Molecular Weight145.54 g/mol
Exact Mass145.01
IUPAC Name2-aminoethane-1,1,1,2-tetrol;hydrochloride
SMILESCl.NC(O)C(O)(O)O
InChIInChI=1S/C2H7NO4.ClH/c3-1(4)2(5,6)7;/h1,4-7H,3H2;1H
InChIKeyBKZLGWURGVCIFE-UHFFFAOYSA-N
XLogP-2.68
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.54
LogP ≤ 5-2.68
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

1,2-diaminoethane-1,1,2-triol
CID 19983644
1-aminopropane-1,2,2-triol
CID 89487611
1-amino-2,2-difluoro-2-iodoethanol
CID 146752518
(1R)-1-amino-2-methyl-2-sulfanylpropan-1-ol
CID 89174988
1-amino-3-methylbutane-1,3-diol;hydrochloride
CID 140998163
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
3,7-diaminoheptane-1,1,1,2-tetrol
CID 57012436
2-aminopropane-1,1,1,3-tetrol
CID 150672283
1-amino-2-ethylpropane-1,2,3-triol
CID 118051862
1,2,2,2-tetrahydroxyethylazanium hydroxide
CID 87579660
2-aminopropane-1,1,2,3,3-pentol
CID 175213904
2-aminoheptane-1,1,1-triol
CID 90384529

Frequently Asked Questions

What is the IUPAC name of 2-aminoethane-1,1,1,2-tetrol;hydrochloride?
The IUPAC name of 2-aminoethane-1,1,1,2-tetrol;hydrochloride (CID 173410323) is 2-aminoethane-1,1,1,2-tetrol;hydrochloride.
What is the SMILES notation for 2-aminoethane-1,1,1,2-tetrol;hydrochloride?
The canonical SMILES for 2-aminoethane-1,1,1,2-tetrol;hydrochloride is Cl.NC(O)C(O)(O)O.
What is the InChIKey of 2-aminoethane-1,1,1,2-tetrol;hydrochloride?
The InChIKey is BKZLGWURGVCIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO4.ClH/c3-1(4)2(5,6)7;/h1,4-7H,3H2;1H.
What are the key properties of 2-aminoethane-1,1,1,2-tetrol;hydrochloride?
2-aminoethane-1,1,1,2-tetrol;hydrochloride has a molecular weight of 145.54 g/mol, XLogP of -2.68, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethane-1,1,1,2-tetrol;hydrochloride is sourced from PubChem (CID 173410323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).