2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol

C10H21NO3 — CID 97358385

IUPAC2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol
SMILESC[C@@H]1CC(NC(CO)CO)C[C@@H](C)O1
InChIInChI=1S/C10H21NO3/c1-7-3-9(4-8(2)14-7)11-10(5-12)6-13/h7-13H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyWUOMZXXPEHJFGU-HTQZYQBOSA-N
MW203.28 g/mol
LogP-0.11
Rot. Bonds4

About 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol

2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol (PubChem CID 97358385) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol
PubChem CID97358385
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol
SMILESC[C@@H]1CC(NC(CO)CO)C[C@@H](C)O1
InChIInChI=1S/C10H21NO3/c1-7-3-9(4-8(2)14-7)11-10(5-12)6-13/h7-13H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyWUOMZXXPEHJFGU-HTQZYQBOSA-N
XLogP-0.11
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol with MolForge

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Related Compounds

1-(Piperidin-2-yl)propan-1-ol
CID 10314
(2R,3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
CID 11988371
(2R,3S,4S,5R)-2-hexylpiperidine-3,4,5-triol
CID 46866608
Conhydrine
CID 11744748
(2R,3S,4S,5R)-2-propylpiperidine-3,4,5-triol
CID 46884602
(2R,3R,4R,5R,6S)-2-hexyl-6-methylpiperidine-3,4,5-triol
CID 73291920
(3S,4S,5R)-2-nonylpiperidine-3,4,5-triol
CID 168290906
(2R,3S,4S,5R)-2-ethylpiperidine-3,4,5-triol;hydrochloride
CID 57341108
2,6-Diethylpiperidine-3,4,5-triol
CID 78168139
Glucocerebrosidase-IN-1
CID 155527378
2,3-dideoxy-beta-1-C-ethyl-1-deoxygalactonojirimycin
CID 46906932
(2S,3R,5S,6R)-2,6-diethylpiperidine-3,4,5-triol;hydrochloride
CID 71747328

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol?
The IUPAC name of 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol (CID 97358385) is 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol?
The canonical SMILES for 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol is C[C@@H]1CC(NC(CO)CO)C[C@@H](C)O1.
What is the InChIKey of 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol?
The InChIKey is WUOMZXXPEHJFGU-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H21NO3/c1-7-3-9(4-8(2)14-7)11-10(5-12)6-13/h7-13H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol?
2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol has a molecular weight of 203.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,6R)-2,6-dimethyloxan-4-yl]amino]propane-1,3-diol is sourced from PubChem (CID 97358385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).