[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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Related Compounds

1-aminoethoxymethanol
CID 76727864
1-(hydroxymethoxy)ethoxymethanol
CID 87328336
[4-(hydroxymethoxy)-3,3-bis[1-(hydroxymethoxy)ethyl]-2,2-bis(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 139763340
[(3S)-3-hydroxy-2-(hydroxymethoxy)pentyl] 2-chloropropanoate
CID 143930388
(3S)-3-(hydroxymethoxy)butan-2-ol
CID 145435326
1-methoxyethoxymethanol
CID 19047944
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492
2,3-diamino-2-(hydroxymethyl)butanoic acid
CID 22035189
1,1,1-trichloropropan-2-yl 2-chloropropanoate
CID 12613756
2-(chloromethoxy)-1,1,1-trifluoropropane
CID 55303779
2-amino-1-propan-2-yloxypropan-2-ol
CID 57307102
2-amino-2-methyl-4-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 64802797

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).