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

C5H9NO4 — CID 10844521

IUPAC(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one
SMILESO=C1N[C@H]([C@@H](O)CO)[C@@H]1O
InChIInChI=1S/C5H9NO4/c7-1-2(8)3-4(9)5(10)6-3/h2-4,7-9H,1H2,(H,6,10)/t2-,3+,4-/m0/s1
InChIKeyWNXRCSZCSVUZSW-NUNKFHFFSA-N
MW147.13 g/mol
LogP-2.80
Rot. Bonds2

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

(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one (PubChem CID 10844521) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one
PubChem CID10844521
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one
SMILESO=C1N[C@H]([C@@H](O)CO)[C@@H]1O
InChIInChI=1S/C5H9NO4/c7-1-2(8)3-4(9)5(10)6-3/h2-4,7-9H,1H2,(H,6,10)/t2-,3+,4-/m0/s1
InChIKeyWNXRCSZCSVUZSW-NUNKFHFFSA-N
XLogP-2.80
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.80
H-Bond Donors ≤ 54
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-hydroxyazetidin-2-one?
The IUPAC name of (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one (CID 10844521) is (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one?
The canonical SMILES for (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one is O=C1N[C@H]([C@@H](O)CO)[C@@H]1O.
What is the InChIKey of (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one?
The InChIKey is WNXRCSZCSVUZSW-NUNKFHFFSA-N. The full InChI is InChI=1S/C5H9NO4/c7-1-2(8)3-4(9)5(10)6-3/h2-4,7-9H,1H2,(H,6,10)/t2-,3+,4-/m0/s1.
What are the key properties of (3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one?
(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxyazetidin-2-one has a molecular weight of 147.13 g/mol, XLogP of -2.80, 2 rotatable bonds, 4 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-hydroxyazetidin-2-one is sourced from PubChem (CID 10844521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).