(3S,4S)-4-morpholin-4-yloxolan-3-amine

C8H16N2O2 — CID 86338125

IUPAC(3S,4S)-4-morpholin-4-yloxolan-3-amine
SMILESN[C@@H]1COC[C@H]1N1CCOCC1
InChIInChI=1S/C8H16N2O2/c9-7-5-12-6-8(7)10-1-3-11-4-2-10/h7-8H,1-6,9H2/t7-,8-/m1/s1
InChIKeyLVRARYPUYXXYIN-HTQZYQBOSA-N
MW172.23 g/mol
LogP-0.96
Rot. Bonds1

About (3S,4S)-4-morpholin-4-yloxolan-3-amine

(3S,4S)-4-morpholin-4-yloxolan-3-amine (PubChem CID 86338125) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-yloxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-yloxolan-3-amine
PubChem CID86338125
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3S,4S)-4-morpholin-4-yloxolan-3-amine
SMILESN[C@@H]1COC[C@H]1N1CCOCC1
InChIInChI=1S/C8H16N2O2/c9-7-5-12-6-8(7)10-1-3-11-4-2-10/h7-8H,1-6,9H2/t7-,8-/m1/s1
InChIKeyLVRARYPUYXXYIN-HTQZYQBOSA-N
XLogP-0.96
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-morpholin-4-yloxolan-3-amine?
The IUPAC name of (3S,4S)-4-morpholin-4-yloxolan-3-amine (CID 86338125) is (3S,4S)-4-morpholin-4-yloxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-morpholin-4-yloxolan-3-amine?
The canonical SMILES for (3S,4S)-4-morpholin-4-yloxolan-3-amine is N[C@@H]1COC[C@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-yloxolan-3-amine?
The InChIKey is LVRARYPUYXXYIN-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16N2O2/c9-7-5-12-6-8(7)10-1-3-11-4-2-10/h7-8H,1-6,9H2/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-4-morpholin-4-yloxolan-3-amine?
(3S,4S)-4-morpholin-4-yloxolan-3-amine has a molecular weight of 172.23 g/mol, XLogP of -0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-morpholin-4-yloxolan-3-amine is sourced from PubChem (CID 86338125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).