(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one

C6H11NO2 — CID 55302117

IUPAC(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N[C@H]1C
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)8)6(9)7-3/h3-5,8H,1-2H3,(H,7,9)/t3-,4-,5-/m0/s1
InChIKeyNNOUIAYSJREGJU-YUPRTTJUSA-N
MW129.16 g/mol
LogP-0.50
Rot. Bonds1

About (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one

(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one (PubChem CID 55302117) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
PubChem CID55302117
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one
SMILESC[C@H](O)[C@H]1C(=O)N[C@H]1C
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)8)6(9)7-3/h3-5,8H,1-2H3,(H,7,9)/t3-,4-,5-/m0/s1
InChIKeyNNOUIAYSJREGJU-YUPRTTJUSA-N
XLogP-0.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one?
The IUPAC name of (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one (CID 55302117) is (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one is C[C@H](O)[C@H]1C(=O)N[C@H]1C.
What is the InChIKey of (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one?
The InChIKey is NNOUIAYSJREGJU-YUPRTTJUSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(4(2)8)6(9)7-3/h3-5,8H,1-2H3,(H,7,9)/t3-,4-,5-/m0/s1.
What are the key properties of (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one?
(3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(1S)-1-hydroxyethyl]-4-methylazetidin-2-one is sourced from PubChem (CID 55302117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).