(2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol

C9H19NO2 — CID 135225035

IUPAC(2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol
SMILESCCN[C@@H]1[C@H](O)[C@@H](CC)O[C@H]1C
InChIInChI=1S/C9H19NO2/c1-4-7-9(11)8(10-5-2)6(3)12-7/h6-11H,4-5H2,1-3H3/t6-,7+,8-,9+/m0/s1
InChIKeyVXASXRANXNWYSL-UYXSQOIJSA-N
MW173.26 g/mol
LogP0.52
Rot. Bonds3

About (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol

(2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol (PubChem CID 135225035) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol
PubChem CID135225035
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol
SMILESCCN[C@@H]1[C@H](O)[C@@H](CC)O[C@H]1C
InChIInChI=1S/C9H19NO2/c1-4-7-9(11)8(10-5-2)6(3)12-7/h6-11H,4-5H2,1-3H3/t6-,7+,8-,9+/m0/s1
InChIKeyVXASXRANXNWYSL-UYXSQOIJSA-N
XLogP0.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol?
The IUPAC name of (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol (CID 135225035) is (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol.
What is the SMILES notation for (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol?
The canonical SMILES for (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol is CCN[C@@H]1[C@H](O)[C@@H](CC)O[C@H]1C.
What is the InChIKey of (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol?
The InChIKey is VXASXRANXNWYSL-UYXSQOIJSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-7-9(11)8(10-5-2)6(3)12-7/h6-11H,4-5H2,1-3H3/t6-,7+,8-,9+/m0/s1.
What are the key properties of (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol?
(2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol has a molecular weight of 173.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-ethyl-4-(ethylamino)-5-methyloxolan-3-ol is sourced from PubChem (CID 135225035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).