(3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one

C14H17NO3 — CID 44550697

IUPAC(3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one
SMILESC[C@@H](O)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C14H17NO3/c1-10(16)12-9-15(14(12)18)13(17)8-7-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyYDTDDBRCZDFVPE-PWSUYJOCSA-N
MW247.29 g/mol
LogP0.99
Rot. Bonds4

About (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one

(3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one (PubChem CID 44550697) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one
PubChem CID44550697
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one
SMILESC[C@@H](O)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O
InChIInChI=1S/C14H17NO3/c1-10(16)12-9-15(14(12)18)13(17)8-7-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3/t10-,12+/m1/s1
InChIKeyYDTDDBRCZDFVPE-PWSUYJOCSA-N
XLogP0.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
The IUPAC name of (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one (CID 44550697) is (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one.
What is the SMILES notation for (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
The canonical SMILES for (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one is C[C@@H](O)[C@@H]1CN(C(=O)CCc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
The InChIKey is YDTDDBRCZDFVPE-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)12-9-15(14(12)18)13(17)8-7-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one?
(3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1R)-1-hydroxyethyl]-1-(3-phenylpropanoyl)azetidin-2-one is sourced from PubChem (CID 44550697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).