5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane

C9H21NO4 — CID 177060046

IUPAC5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
SMILESCC.CC1C(CN)OC(O)(CO)C1O
InChIInChI=1S/C7H15NO4.C2H6/c1-4-5(2-8)12-7(11,3-9)6(4)10;1-2/h4-6,9-11H,2-3,8H2,1H3;1-2H3
InChIKeyXLCJOVLSEQVQKX-UHFFFAOYSA-N
MW207.27 g/mol
LogP-0.95
Rot. Bonds2

About 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane

5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane (PubChem CID 177060046) has the molecular formula C9H21NO4 and a molecular weight of 207.27 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane.

Molecular Properties

Compound Name5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
PubChem CID177060046
Molecular FormulaC9H21NO4
Molecular Weight207.27 g/mol
Exact Mass207.15
IUPAC Name5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
SMILESCC.CC1C(CN)OC(O)(CO)C1O
InChIInChI=1S/C7H15NO4.C2H6/c1-4-5(2-8)12-7(11,3-9)6(4)10;1-2/h4-6,9-11H,2-3,8H2,1H3;1-2H3
InChIKeyXLCJOVLSEQVQKX-UHFFFAOYSA-N
XLogP-0.95
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-(methoxymethyl)oxolane-2,3,4-triol
CID 131086029
(2S,3S,4S,5S)-5-(chloromethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 131187722
(4R)-2-(hydroxymethyl)-4,5-dimethyloxane-2,3-diol
CID 118362949
(3S,4S,5S)-5-[(2-hydroxyethylamino)methyl]-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 170042168
(3R,4S,5R)-2-(hydroxymethyl)-5-[(propan-2-ylideneamino)oxymethyl]oxolane-2,3,4-triol
CID 150541808
O-methylhydroxylamine;[(2R,3S,4S,5R)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
CID 67127490
(3S,4S,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 14183822
(2R,3S,4R,5S)-5-(azidomethyl)-2-(hydroxymethyl)oxolane-2,3,4-triol
CID 161396691

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane?
The IUPAC name of 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane (CID 177060046) is 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane.
What is the SMILES notation for 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane?
The canonical SMILES for 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane is CC.CC1C(CN)OC(O)(CO)C1O.
What is the InChIKey of 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane?
The InChIKey is XLCJOVLSEQVQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4.C2H6/c1-4-5(2-8)12-7(11,3-9)6(4)10;1-2/h4-6,9-11H,2-3,8H2,1H3;1-2H3.
What are the key properties of 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane?
5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane has a molecular weight of 207.27 g/mol, XLogP of -0.95, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane is sourced from PubChem (CID 177060046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).