(4S,5S)-4-amino-5-ethyloxolan-3-one

C6H11NO2 — CID 59107760

IUPAC(4S,5S)-4-amino-5-ethyloxolan-3-one
SMILESCC[C@@H]1OCC(=O)[C@H]1N
InChIInChI=1S/C6H11NO2/c1-2-5-6(7)4(8)3-9-5/h5-6H,2-3,7H2,1H3/t5-,6+/m0/s1
InChIKeyMPQCCGPLLXHGQD-NTSWFWBYSA-N
MW129.16 g/mol
LogP-0.31
Rot. Bonds1

About (4S,5S)-4-amino-5-ethyloxolan-3-one

(4S,5S)-4-amino-5-ethyloxolan-3-one (PubChem CID 59107760) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (4S,5S)-4-amino-5-ethyloxolan-3-one.

Molecular Properties

Compound Name(4S,5S)-4-amino-5-ethyloxolan-3-one
PubChem CID59107760
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(4S,5S)-4-amino-5-ethyloxolan-3-one
SMILESCC[C@@H]1OCC(=O)[C@H]1N
InChIInChI=1S/C6H11NO2/c1-2-5-6(7)4(8)3-9-5/h5-6H,2-3,7H2,1H3/t5-,6+/m0/s1
InChIKeyMPQCCGPLLXHGQD-NTSWFWBYSA-N
XLogP-0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-amino-5-ethyloxolan-3-one?
The IUPAC name of (4S,5S)-4-amino-5-ethyloxolan-3-one (CID 59107760) is (4S,5S)-4-amino-5-ethyloxolan-3-one.
What is the SMILES notation for (4S,5S)-4-amino-5-ethyloxolan-3-one?
The canonical SMILES for (4S,5S)-4-amino-5-ethyloxolan-3-one is CC[C@@H]1OCC(=O)[C@H]1N.
What is the InChIKey of (4S,5S)-4-amino-5-ethyloxolan-3-one?
The InChIKey is MPQCCGPLLXHGQD-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-5-6(7)4(8)3-9-5/h5-6H,2-3,7H2,1H3/t5-,6+/m0/s1.
What are the key properties of (4S,5S)-4-amino-5-ethyloxolan-3-one?
(4S,5S)-4-amino-5-ethyloxolan-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-amino-5-ethyloxolan-3-one is sourced from PubChem (CID 59107760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).