2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine

C10H21NO4 — CID 130187739

IUPAC2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
SMILESCOC[C@H]1O[C@@H](C)[C@@H](OCCN)C1OC
InChIInChI=1S/C10H21NO4/c1-7-9(14-5-4-11)10(13-3)8(15-7)6-12-2/h7-10H,4-6,11H2,1-3H3/t7-,8+,9+,10?/m0/s1
InChIKeyAPTRLAXHFGMHSY-UWOKOIHUSA-N
MW219.28 g/mol
LogP-0.22
Rot. Bonds6

About 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine

2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine (PubChem CID 130187739) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine.

Molecular Properties

Compound Name2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
PubChem CID130187739
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
SMILESCOC[C@H]1O[C@@H](C)[C@@H](OCCN)C1OC
InChIInChI=1S/C10H21NO4/c1-7-9(14-5-4-11)10(13-3)8(15-7)6-12-2/h7-10H,4-6,11H2,1-3H3/t7-,8+,9+,10?/m0/s1
InChIKeyAPTRLAXHFGMHSY-UWOKOIHUSA-N
XLogP-0.22
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine?
The IUPAC name of 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine (CID 130187739) is 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine.
What is the SMILES notation for 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine?
The canonical SMILES for 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine is COC[C@H]1O[C@@H](C)[C@@H](OCCN)C1OC.
What is the InChIKey of 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine?
The InChIKey is APTRLAXHFGMHSY-UWOKOIHUSA-N. The full InChI is InChI=1S/C10H21NO4/c1-7-9(14-5-4-11)10(13-3)8(15-7)6-12-2/h7-10H,4-6,11H2,1-3H3/t7-,8+,9+,10?/m0/s1.
What are the key properties of 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine?
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine has a molecular weight of 219.28 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine is sourced from PubChem (CID 130187739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).