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

C9H9NO2 — CID 10219589

IUPAC(3R,4S)-3-hydroxy-4-phenylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1
InChIKeyFBZSDKXFQUKDLD-JGVFFNPUSA-N
MW163.18 g/mol
LogP0.22
Rot. Bonds1

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

(3R,4S)-3-hydroxy-4-phenylazetidin-2-one (PubChem CID 10219589) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-4-phenylazetidin-2-one
PubChem CID10219589
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(3R,4S)-3-hydroxy-4-phenylazetidin-2-one
SMILESO=C1N[C@@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1
InChIKeyFBZSDKXFQUKDLD-JGVFFNPUSA-N
XLogP0.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-amino-2-hydroxy-N-(3-methylbutyl)-4-phenylbutanamide
CID 44309732
N-lactoyl-phenylalanine
CID 11075454
N-Acetyl-DL-phenylglycine
CID 85935
N-(2-hydroxy-1-phenylethyl)acetamide
CID 15619841
3-Amino-2-hydroxy-N-(3-methyl-butyl)-4-phenyl-butyramide
CID 44355762
(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-propan-2-ylsulfanylpentanamide
CID 44381897
(2S,3R)-3-amino-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 44381941
(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 44382028
(2S,3R)-3-amino-3-cyclohexyl-2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 44382789
(Z,12R)-12-hydroxy-N-[(1S)-1-phenylethyl]octadec-9-enamide
CID 49864759
N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
CID 55157876
N-Benzyl-2-hydroxy-2-phenylacetamide
CID 222718

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-4-phenylazetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-4-phenylazetidin-2-one (CID 10219589) is (3R,4S)-3-hydroxy-4-phenylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-4-phenylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-4-phenylazetidin-2-one is O=C1N[C@@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (3R,4S)-3-hydroxy-4-phenylazetidin-2-one?
The InChIKey is FBZSDKXFQUKDLD-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H9NO2/c11-8-7(10-9(8)12)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,10,12)/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-4-phenylazetidin-2-one?
(3R,4S)-3-hydroxy-4-phenylazetidin-2-one has a molecular weight of 163.18 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-4-phenylazetidin-2-one is sourced from PubChem (CID 10219589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).