(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one

C8H15NO3 — CID 66645731

IUPAC(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one
SMILESCC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O
InChIInChI=1S/C8H15NO3/c1-2-5-3-7(6(9)4-10)12-8(5)11/h5-7,10H,2-4,9H2,1H3/t5-,6+,7+/m1/s1
InChIKeyWVKRTRKCHNZDRX-VQVTYTSYSA-N
MW173.21 g/mol
LogP-0.35
Rot. Bonds3

About (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one

(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one (PubChem CID 66645731) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one
PubChem CID66645731
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one
SMILESCC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O
InChIInChI=1S/C8H15NO3/c1-2-5-3-7(6(9)4-10)12-8(5)11/h5-7,10H,2-4,9H2,1H3/t5-,6+,7+/m1/s1
InChIKeyWVKRTRKCHNZDRX-VQVTYTSYSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one?
The IUPAC name of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one (CID 66645731) is (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one.
What is the SMILES notation for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one?
The canonical SMILES for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one is CC[C@@H]1C[C@@H]([C@@H](N)CO)OC1=O.
What is the InChIKey of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one?
The InChIKey is WVKRTRKCHNZDRX-VQVTYTSYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-5-3-7(6(9)4-10)12-8(5)11/h5-7,10H,2-4,9H2,1H3/t5-,6+,7+/m1/s1.
What are the key properties of (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one?
(3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one has a molecular weight of 173.21 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-[(1S)-1-amino-2-hydroxyethyl]-3-ethyloxolan-2-one is sourced from PubChem (CID 66645731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).