1-amino-2-(hydroxymethylamino)ethane-1,2-diol

C3H10N2O3 — CID 123718232

IUPAC1-amino-2-(hydroxymethylamino)ethane-1,2-diol
SMILESNC(O)C(O)NCO
InChIInChI=1S/C3H10N2O3/c4-2(7)3(8)5-1-6/h2-3,5-8H,1,4H2
InChIKeyQQEZZXSHKBKWGH-UHFFFAOYSA-N
MW122.12 g/mol
LogP-2.88
Rot. Bonds3

About 1-amino-2-(hydroxymethylamino)ethane-1,2-diol

1-amino-2-(hydroxymethylamino)ethane-1,2-diol (PubChem CID 123718232) has the molecular formula C3H10N2O3 and a molecular weight of 122.12 g/mol. Its IUPAC name is 1-amino-2-(hydroxymethylamino)ethane-1,2-diol.

Molecular Properties

Compound Name1-amino-2-(hydroxymethylamino)ethane-1,2-diol
PubChem CID123718232
Molecular FormulaC3H10N2O3
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Name1-amino-2-(hydroxymethylamino)ethane-1,2-diol
SMILESNC(O)C(O)NCO
InChIInChI=1S/C3H10N2O3/c4-2(7)3(8)5-1-6/h2-3,5-8H,1,4H2
InChIKeyQQEZZXSHKBKWGH-UHFFFAOYSA-N
XLogP-2.88
TPSA98.74 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-2.88
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

(3R)-3-amino-2-(hydroxymethylamino)-1,3-bis(methylamino)propan-1-ol
CID 88578743
(dichloromethyl(15N)amino)methanol
CID 87733049
(1R)-1-aminoethane-1,2-diol
CID 140649256
[(diaminomethylamino)methylamino]methanol
CID 89391902
1-amino-2-(2-aminoethylamino)propane-1,3-diol
CID 91174752
1,2-bis(2-hydroxyethylamino)ethane-1,2-diol
CID 59800336
(2R)-2-amino-1-(ethylamino)propan-1-ol
CID 142837227
formaldehyde;tris(1-(hydroxymethylamino)propan-1-ol)
CID 160506836
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
(2S,3S,4R)-1-aminopentane-1,2,3,4,5-pentol
CID 139898597
(2S,3R)-3-hydroxy-2-(hydroxymethylamino)butanoic acid
CID 54383324
2-amino-1-(2,2-difluoroethylamino)propan-1-ol
CID 134269576

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(hydroxymethylamino)ethane-1,2-diol?
The IUPAC name of 1-amino-2-(hydroxymethylamino)ethane-1,2-diol (CID 123718232) is 1-amino-2-(hydroxymethylamino)ethane-1,2-diol.
What is the SMILES notation for 1-amino-2-(hydroxymethylamino)ethane-1,2-diol?
The canonical SMILES for 1-amino-2-(hydroxymethylamino)ethane-1,2-diol is NC(O)C(O)NCO.
What is the InChIKey of 1-amino-2-(hydroxymethylamino)ethane-1,2-diol?
The InChIKey is QQEZZXSHKBKWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O3/c4-2(7)3(8)5-1-6/h2-3,5-8H,1,4H2.
What are the key properties of 1-amino-2-(hydroxymethylamino)ethane-1,2-diol?
1-amino-2-(hydroxymethylamino)ethane-1,2-diol has a molecular weight of 122.12 g/mol, XLogP of -2.88, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(hydroxymethylamino)ethane-1,2-diol is sourced from PubChem (CID 123718232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).