(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one

C6H9NO2 — CID 55301160

IUPAC(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
SMILESC[C@H]1O[C@H]1[C@@H]1CC(=O)N1
InChIInChI=1S/C6H9NO2/c1-3-6(9-3)4-2-5(8)7-4/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+,6-/m1/s1
InChIKeyWHLDVNYFLPJVEY-ALEPSDHESA-N
MW127.14 g/mol
LogP-0.34
Rot. Bonds1

About (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one

(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one (PubChem CID 55301160) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
PubChem CID55301160
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one
SMILESC[C@H]1O[C@H]1[C@@H]1CC(=O)N1
InChIInChI=1S/C6H9NO2/c1-3-6(9-3)4-2-5(8)7-4/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+,6-/m1/s1
InChIKeyWHLDVNYFLPJVEY-ALEPSDHESA-N
XLogP-0.34
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one?
The IUPAC name of (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one (CID 55301160) is (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one.
What is the SMILES notation for (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one?
The canonical SMILES for (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one is C[C@H]1O[C@H]1[C@@H]1CC(=O)N1.
What is the InChIKey of (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one?
The InChIKey is WHLDVNYFLPJVEY-ALEPSDHESA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-6(9-3)4-2-5(8)7-4/h3-4,6H,2H2,1H3,(H,7,8)/t3-,4+,6-/m1/s1.
What are the key properties of (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one?
(4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one has a molecular weight of 127.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(2S,3R)-3-methyloxiran-2-yl]azetidin-2-one is sourced from PubChem (CID 55301160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).