3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol

C10H21NO4 — CID 58884401

IUPAC3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol
SMILESCCC1OC(CO)C(COC)C(O)C1N
InChIInChI=1S/C10H21NO4/c1-3-7-9(11)10(13)6(5-14-2)8(4-12)15-7/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyIZYURVZHFBXVLM-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.89
Rot. Bonds4

About 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol

3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol (PubChem CID 58884401) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol.

Molecular Properties

Compound Name3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol
PubChem CID58884401
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol
SMILESCCC1OC(CO)C(COC)C(O)C1N
InChIInChI=1S/C10H21NO4/c1-3-7-9(11)10(13)6(5-14-2)8(4-12)15-7/h6-10,12-13H,3-5,11H2,1-2H3
InChIKeyIZYURVZHFBXVLM-UHFFFAOYSA-N
XLogP-0.89
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S,6R)-5-amino-2-(hydroxymethyl)-3,6-bis(methoxymethyl)oxan-4-ol
CID 59707793
3-amino-2-[[5-amino-4-hydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol
CID 59069030
(2R,3R,4S,5R)-4-amino-5-ethyl-2-(hydroxymethyl)oxolan-3-ol
CID 129088072
5-amino-6-ethyl-2-(hydroxymethyl)oxane-3,4-diol
CID 20760770
(4R,5R)-5-amino-6-[[(3S,5S,6S)-5-amino-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methyl]-2-(hydroxymethyl)oxane-3,4-diol
CID 58771482
3-amino-5-ethyl-2-(methoxymethyl)-6-methyloxan-4-ol
CID 70840318
(2S,4R,5S)-2-[[(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol;(2S,4R,5S)-2-[[(3S,4R,6S)-6-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol
CID 161244122
(2S,4R,5S)-2-[[(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(methoxymethyl)oxan-3-yl]methoxymethyl]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]methoxymethyl]-6-(hydroxymethyl)-5-(methoxymethyl)oxane-3,4-diol
CID 90899019
1-[(3S,4R,6S)-3-[[(2S,4R,5S)-3,4-dihydroxy-5-(methoxymethyl)-6-methyloxan-2-yl]methoxymethyl]-6-[[(3S,4R,6S)-6-[[(3R,4R,6S)-6-ethyl-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-4,5-dihydroxyoxan-2-yl]propan-2-one
CID 70791633
(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
CID 90293180
(2S,3S,5R)-2-ethyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 59615653
(2R,4S,5S)-2-[[(3S,4S,6R)-6-[[(3S,4S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(methoxymethyl)oxane-3,4,5-triol
CID 122542967

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol?
The IUPAC name of 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol (CID 58884401) is 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol.
What is the SMILES notation for 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol?
The canonical SMILES for 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol is CCC1OC(CO)C(COC)C(O)C1N.
What is the InChIKey of 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol?
The InChIKey is IZYURVZHFBXVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-3-7-9(11)10(13)6(5-14-2)8(4-12)15-7/h6-10,12-13H,3-5,11H2,1-2H3.
What are the key properties of 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol?
3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol has a molecular weight of 219.28 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethyl-6-(hydroxymethyl)-5-(methoxymethyl)oxan-4-ol is sourced from PubChem (CID 58884401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).