[1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol

C6H15NO6 — CID 88798252

IUPAC[1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol
SMILESCC(OCO)C(N)(OCO)OCO
InChIInChI=1S/C6H15NO6/c1-5(11-2-8)6(7,12-3-9)13-4-10/h5,8-10H,2-4,7H2,1H3
InChIKeyIZDXEQRREKQTJU-UHFFFAOYSA-N
MW197.19 g/mol
LogP-2.11
Rot. Bonds7

About [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol

[1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol (PubChem CID 88798252) has the molecular formula C6H15NO6 and a molecular weight of 197.19 g/mol. Its IUPAC name is [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol.

Molecular Properties

Compound Name[1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol
PubChem CID88798252
Molecular FormulaC6H15NO6
Molecular Weight197.19 g/mol
Exact Mass197.09
IUPAC Name[1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol
SMILESCC(OCO)C(N)(OCO)OCO
InChIInChI=1S/C6H15NO6/c1-5(11-2-8)6(7,12-3-9)13-4-10/h5,8-10H,2-4,7H2,1H3
InChIKeyIZDXEQRREKQTJU-UHFFFAOYSA-N
XLogP-2.11
TPSA114.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-2.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol?
The IUPAC name of [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol (CID 88798252) is [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol.
What is the SMILES notation for [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol?
The canonical SMILES for [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol is CC(OCO)C(N)(OCO)OCO.
What is the InChIKey of [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol?
The InChIKey is IZDXEQRREKQTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6/c1-5(11-2-8)6(7,12-3-9)13-4-10/h5,8-10H,2-4,7H2,1H3.
What are the key properties of [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol?
[1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol has a molecular weight of 197.19 g/mol, XLogP of -2.11, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-1,1-bis(hydroxymethoxy)propan-2-yl]oxymethanol is sourced from PubChem (CID 88798252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).