(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one

C17H17NO3 — CID 10755410

IUPAC(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one
SMILESO=C1[C@H]([C@H](O)CO)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C17H17NO3/c19-11-14(20)15-16(12-7-3-1-4-8-12)18(17(15)21)13-9-5-2-6-10-13/h1-10,14-16,19-20H,11H2/t14-,15-,16-/m1/s1
InChIKeyGVDOYZKYVFGYKX-BZUAXINKSA-N
MW283.33 g/mol
LogP1.74
Rot. Bonds4

About (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one

(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one (PubChem CID 10755410) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one
PubChem CID10755410
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one
SMILESO=C1[C@H]([C@H](O)CO)[C@@H](c2ccccc2)N1c1ccccc1
InChIInChI=1S/C17H17NO3/c19-11-14(20)15-16(12-7-3-1-4-8-12)18(17(15)21)13-9-5-2-6-10-13/h1-10,14-16,19-20H,11H2/t14-,15-,16-/m1/s1
InChIKeyGVDOYZKYVFGYKX-BZUAXINKSA-N
XLogP1.74
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one?
The IUPAC name of (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one (CID 10755410) is (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one is O=C1[C@H]([C@H](O)CO)[C@@H](c2ccccc2)N1c1ccccc1.
What is the InChIKey of (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one?
The InChIKey is GVDOYZKYVFGYKX-BZUAXINKSA-N. The full InChI is InChI=1S/C17H17NO3/c19-11-14(20)15-16(12-7-3-1-4-8-12)18(17(15)21)13-9-5-2-6-10-13/h1-10,14-16,19-20H,11H2/t14-,15-,16-/m1/s1.
What are the key properties of (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one?
(3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one has a molecular weight of 283.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-[(1S)-1,2-dihydroxyethyl]-1,4-diphenylazetidin-2-one is sourced from PubChem (CID 10755410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).