4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol

C7H15NO3 — CID 137455676

IUPAC4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
SMILESCC1(C)OC(CO)C(O)C1N
InChIInChI=1S/C7H15NO3/c1-7(2)6(8)5(10)4(3-9)11-7/h4-6,9-10H,3,8H2,1-2H3
InChIKeyAJNNKOKVEALWMG-UHFFFAOYSA-N
MW161.20 g/mol
LogP-1.16
Rot. Bonds1

About 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol

4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol (PubChem CID 137455676) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol.

Molecular Properties

Compound Name4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
PubChem CID137455676
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
SMILESCC1(C)OC(CO)C(O)C1N
InChIInChI=1S/C7H15NO3/c1-7(2)6(8)5(10)4(3-9)11-7/h4-6,9-10H,3,8H2,1-2H3
InChIKeyAJNNKOKVEALWMG-UHFFFAOYSA-N
XLogP-1.16
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
CID 59937976
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 102165181
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-methyloxane-2,4,5-triol;azane
CID 172738013
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)-2-silyloxane-2,4,5-triol
CID 154185512
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
1-[(3R,4R,5S,6R)-3-amino-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,2-dimethylpropan-1-one
CID 141416489
[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 785244

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol?
The IUPAC name of 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol (CID 137455676) is 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol.
What is the SMILES notation for 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol?
The canonical SMILES for 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol is CC1(C)OC(CO)C(O)C1N.
What is the InChIKey of 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol?
The InChIKey is AJNNKOKVEALWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-7(2)6(8)5(10)4(3-9)11-7/h4-6,9-10H,3,8H2,1-2H3.
What are the key properties of 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol?
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol has a molecular weight of 161.20 g/mol, XLogP of -1.16, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol is sourced from PubChem (CID 137455676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).