(3S)-3-aminooxolan-2-one;ethane

C6H13NO2 — CID 90724165

IUPAC(3S)-3-aminooxolan-2-one;ethane
SMILESCC.N[C@H]1CCOC1=O
InChIInChI=1S/C4H7NO2.C2H6/c5-3-1-2-7-4(3)6;1-2/h3H,1-2,5H2;1-2H3/t3-;/m0./s1
InChIKeyHBXXPUGQGIPPGW-DFWYDOINSA-N
MW131.18 g/mol
LogP0.29
Rot. Bonds

About (3S)-3-aminooxolan-2-one;ethane

(3S)-3-aminooxolan-2-one;ethane (PubChem CID 90724165) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (3S)-3-aminooxolan-2-one;ethane.

Molecular Properties

Compound Name(3S)-3-aminooxolan-2-one;ethane
PubChem CID90724165
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(3S)-3-aminooxolan-2-one;ethane
SMILESCC.N[C@H]1CCOC1=O
InChIInChI=1S/C4H7NO2.C2H6/c5-3-1-2-7-4(3)6;1-2/h3H,1-2,5H2;1-2H3/t3-;/m0./s1
InChIKeyHBXXPUGQGIPPGW-DFWYDOINSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-aminooxolan-2-one;ethane?
The IUPAC name of (3S)-3-aminooxolan-2-one;ethane (CID 90724165) is (3S)-3-aminooxolan-2-one;ethane.
What is the SMILES notation for (3S)-3-aminooxolan-2-one;ethane?
The canonical SMILES for (3S)-3-aminooxolan-2-one;ethane is CC.N[C@H]1CCOC1=O.
What is the InChIKey of (3S)-3-aminooxolan-2-one;ethane?
The InChIKey is HBXXPUGQGIPPGW-DFWYDOINSA-N. The full InChI is InChI=1S/C4H7NO2.C2H6/c5-3-1-2-7-4(3)6;1-2/h3H,1-2,5H2;1-2H3/t3-;/m0./s1.
What are the key properties of (3S)-3-aminooxolan-2-one;ethane?
(3S)-3-aminooxolan-2-one;ethane has a molecular weight of 131.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-aminooxolan-2-one;ethane is sourced from PubChem (CID 90724165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).