(3R,4S)-3-methoxy-4-phenylazetidin-2-one

C10H11NO2 — CID 42639931

IUPAC(3R,4S)-3-methoxy-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c1-13-9-8(11-10(9)12)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyXTGLDRZJZOCKAG-DTWKUNHWSA-N
MW177.20 g/mol
LogP0.87
Rot. Bonds2

About (3R,4S)-3-methoxy-4-phenylazetidin-2-one

(3R,4S)-3-methoxy-4-phenylazetidin-2-one (PubChem CID 42639931) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-4-phenylazetidin-2-one
PubChem CID42639931
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3R,4S)-3-methoxy-4-phenylazetidin-2-one
SMILESCO[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C10H11NO2/c1-13-9-8(11-10(9)12)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyXTGLDRZJZOCKAG-DTWKUNHWSA-N
XLogP0.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-4-phenylazetidin-2-one (CID 42639931) is (3R,4S)-3-methoxy-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-4-phenylazetidin-2-one is CO[C@H]1C(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-methoxy-4-phenylazetidin-2-one?
The InChIKey is XTGLDRZJZOCKAG-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-9-8(11-10(9)12)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H,11,12)/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-4-phenylazetidin-2-one?
(3R,4S)-3-methoxy-4-phenylazetidin-2-one has a molecular weight of 177.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-4-phenylazetidin-2-one is sourced from PubChem (CID 42639931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).