5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol

C10H21NO4 — CID 134238121

IUPAC5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol
SMILESCCNC1C(C)OC(CO)C(OC)C1O
InChIInChI=1S/C10H21NO4/c1-4-11-8-6(2)15-7(5-12)10(14-3)9(8)13/h6-13H,4-5H2,1-3H3
InChIKeyMQCORURVTPUJPA-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.88
Rot. Bonds4

About 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol

5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol (PubChem CID 134238121) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol.

Molecular Properties

Compound Name5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol
PubChem CID134238121
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol
SMILESCCNC1C(C)OC(CO)C(OC)C1O
InChIInChI=1S/C10H21NO4/c1-4-11-8-6(2)15-7(5-12)10(14-3)9(8)13/h6-13H,4-5H2,1-3H3
InChIKeyMQCORURVTPUJPA-UHFFFAOYSA-N
XLogP-0.88
TPSA70.95 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 ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[ethoxy(methoxy)phosphoryl]methylamino]-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol;methane
CID 159361472
(2R,3R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 149339632
(4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol
CID 122579164
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);methane
CID 160896392
N-[(2S,3S,4R)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-2-methyloxan-3-yl]-2-methylprop-2-enamide
CID 147869647
(2R,4R,5R)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol;bis((2R,4R,5S)-6-(hydroxymethyl)-5-methoxy-2-methyloxane-3,4-diol);(2R,4R,5S)-5-methoxy-2,6-dimethyloxane-3,4-diol
CID 157104198
2-[[5-[3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]amino]acetic acid
CID 154627440
(2R,3S,4S,5R)-5-(hydroxymethyl)-4-methoxyoxolane-2,3-diol
CID 130976876
(2S,3S,4R,5R,6S,7S)-7-(hydroxymethyl)-6-methoxyoxepane-2,3,4,5-tetrol
CID 90798926
N-[(2S,5S,6S)-4-hydroxy-5-[(2S,4R,5S)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3-[(2-sulfanylacetyl)amino]oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-sulfanylacetamide
CID 171600474
(2R,3R,4R,5S,6R)-2-ethoxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 101177678
N-[(2R,4R,5S)-5-[(2S,4R,5S)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 158807122

Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol?
The IUPAC name of 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol (CID 134238121) is 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol.
What is the SMILES notation for 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol?
The canonical SMILES for 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol is CCNC1C(C)OC(CO)C(OC)C1O.
What is the InChIKey of 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol?
The InChIKey is MQCORURVTPUJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-4-11-8-6(2)15-7(5-12)10(14-3)9(8)13/h6-13H,4-5H2,1-3H3.
What are the key properties of 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol?
5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol has a molecular weight of 219.28 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-2-(hydroxymethyl)-3-methoxy-6-methyloxan-4-ol is sourced from PubChem (CID 134238121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).