(2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol

C10H20N2O4 — CID 131632101

IUPAC(2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
SMILESNC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1N1CCOCC1
InChIInChI=1S/C10H20N2O4/c11-5-7-9(10(14)8(6-13)16-7)12-1-3-15-4-2-12/h7-10,13-14H,1-6,11H2/t7-,8+,9-,10+/m1/s1
InChIKeyHHVDNRNWTMXKFT-RGOKHQFPSA-N
MW232.28 g/mol
LogP-2.23
Rot. Bonds3

About (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol

(2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol (PubChem CID 131632101) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
PubChem CID131632101
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
SMILESNC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1N1CCOCC1
InChIInChI=1S/C10H20N2O4/c11-5-7-9(10(14)8(6-13)16-7)12-1-3-15-4-2-12/h7-10,13-14H,1-6,11H2/t7-,8+,9-,10+/m1/s1
InChIKeyHHVDNRNWTMXKFT-RGOKHQFPSA-N
XLogP-2.23
TPSA88.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4R,5R)-2-(hydroxymethyl)-4-morpholin-4-yl-5-[(propan-2-ylamino)methyl]oxolan-3-ol
CID 28961377
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-morpholin-4-yloxolan-2-yl]methyl]-2-methoxyacetamide;hydrochloride
CID 146118565
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-piperidin-1-yloxolan-3-ol;dihydrochloride
CID 146118858
(3R,4R,5R,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91077336
(2S,3R,4S,5S,6R)-2-(aminomethyl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 13472020
(2S,3S,4S,5R)-5-[[bis[(3-chlorophenyl)methyl]amino]methyl]-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol
CID 28961215
(2S,3S,4R,5R)-5-[(dimethylamino)methyl]-2-(hydroxymethyl)-4-(4-methylpiperidin-1-yl)oxolan-3-ol
CID 28962406
2-(hydroxymethyl)-5-[(oxan-4-ylamino)methyl]-4-(4-piperidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 163181564
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
[4-hydroxy-5-(hydroxymethyl)-3-(4-piperidin-1-ium-2-ylpiperazin-1-yl)oxolan-2-yl]methyl-(oxan-4-yl)azanium
CID 163181563

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The IUPAC name of (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol (CID 131632101) is (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol.
What is the SMILES notation for (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The canonical SMILES for (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol is NC[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1N1CCOCC1.
What is the InChIKey of (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
The InChIKey is HHVDNRNWTMXKFT-RGOKHQFPSA-N. The full InChI is InChI=1S/C10H20N2O4/c11-5-7-9(10(14)8(6-13)16-7)12-1-3-15-4-2-12/h7-10,13-14H,1-6,11H2/t7-,8+,9-,10+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol?
(2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol has a molecular weight of 232.28 g/mol, XLogP of -2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-5-(aminomethyl)-2-(hydroxymethyl)-4-morpholin-4-yloxolan-3-ol is sourced from PubChem (CID 131632101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).