(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one

C13H17NO2 — CID 11367993

IUPAC(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)11-12(13(15)14-11)16-8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyWROATTZUGUIERN-NWDGAFQWSA-N
MW219.28 g/mol
LogP1.73
Rot. Bonds4

About (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one

(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one (PubChem CID 11367993) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
PubChem CID11367993
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-9(2)11-12(13(15)14-11)16-8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)/t11-,12+/m0/s1
InChIKeyWROATTZUGUIERN-NWDGAFQWSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one (CID 11367993) is (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one is CC(C)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one?
The InChIKey is WROATTZUGUIERN-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)11-12(13(15)14-11)16-8-10-6-4-3-5-7-10/h3-7,9,11-12H,8H2,1-2H3,(H,14,15)/t11-,12+/m0/s1.
What are the key properties of (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one?
(3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-phenylmethoxy-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 11367993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).