(2S,3S)-2-ethyloxolan-3-amine

C6H13NO — CID 124511863

IUPAC(2S,3S)-2-ethyloxolan-3-amine
SMILESCC[C@@H]1OCC[C@@H]1N
InChIInChI=1S/C6H13NO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyRPZNALUHCXDFPE-WDSKDSINSA-N
MW115.18 g/mol
LogP0.51
Rot. Bonds1

About (2S,3S)-2-ethyloxolan-3-amine

(2S,3S)-2-ethyloxolan-3-amine (PubChem CID 124511863) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2S,3S)-2-ethyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-ethyloxolan-3-amine
PubChem CID124511863
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2S,3S)-2-ethyloxolan-3-amine
SMILESCC[C@@H]1OCC[C@@H]1N
InChIInChI=1S/C6H13NO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1
InChIKeyRPZNALUHCXDFPE-WDSKDSINSA-N
XLogP0.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethyloxolan-3-amine?
The IUPAC name of (2S,3S)-2-ethyloxolan-3-amine (CID 124511863) is (2S,3S)-2-ethyloxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-ethyloxolan-3-amine?
The canonical SMILES for (2S,3S)-2-ethyloxolan-3-amine is CC[C@@H]1OCC[C@@H]1N.
What is the InChIKey of (2S,3S)-2-ethyloxolan-3-amine?
The InChIKey is RPZNALUHCXDFPE-WDSKDSINSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-6-5(7)3-4-8-6/h5-6H,2-4,7H2,1H3/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-ethyloxolan-3-amine?
(2S,3S)-2-ethyloxolan-3-amine has a molecular weight of 115.18 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethyloxolan-3-amine is sourced from PubChem (CID 124511863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).