(3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one

C13H17NO2 — CID 11769969

IUPAC(3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@@H]1CN(OCc2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10(2)12-8-14(13(12)15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUQZXAZUWCKIMJJ-LBPRGKRZSA-N
MW219.28 g/mol
LogP2.23
Rot. Bonds4

About (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one

(3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one (PubChem CID 11769969) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one
PubChem CID11769969
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one
SMILESCC(C)[C@@H]1CN(OCc2ccccc2)C1=O
InChIInChI=1S/C13H17NO2/c1-10(2)12-8-14(13(12)15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1
InChIKeyUQZXAZUWCKIMJJ-LBPRGKRZSA-N
XLogP2.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one?
The IUPAC name of (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one (CID 11769969) is (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one is CC(C)[C@@H]1CN(OCc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one?
The InChIKey is UQZXAZUWCKIMJJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)12-8-14(13(12)15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one?
(3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenylmethoxy-3-propan-2-ylazetidin-2-one is sourced from PubChem (CID 11769969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).