(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one

C13H17NO4 — CID 10890358

IUPAC(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1[C@@H](O)CO
InChIInChI=1S/C13H17NO4/c1-8(9-5-3-2-4-6-9)14-11(10(16)7-15)12(17)13(14)18/h2-6,8,10-12,15-17H,7H2,1H3/t8-,10+,11-,12+/m1/s1
InChIKeyUJLVWCSHFLCKBU-KLHWPWHYSA-N
MW251.28 g/mol
LogP-0.33
Rot. Bonds4

About (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one

(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one (PubChem CID 10890358) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
PubChem CID10890358
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILESC[C@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1[C@@H](O)CO
InChIInChI=1S/C13H17NO4/c1-8(9-5-3-2-4-6-9)14-11(10(16)7-15)12(17)13(14)18/h2-6,8,10-12,15-17H,7H2,1H3/t8-,10+,11-,12+/m1/s1
InChIKeyUJLVWCSHFLCKBU-KLHWPWHYSA-N
XLogP-0.33
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one (CID 10890358) is (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one is C[C@H](c1ccccc1)N1C(=O)[C@@H](O)[C@H]1[C@@H](O)CO.
What is the InChIKey of (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
The InChIKey is UJLVWCSHFLCKBU-KLHWPWHYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-8(9-5-3-2-4-6-9)14-11(10(16)7-15)12(17)13(14)18/h2-6,8,10-12,15-17H,7H2,1H3/t8-,10+,11-,12+/m1/s1.
What are the key properties of (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one?
(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one has a molecular weight of 251.28 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 10890358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).