(3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one

C7H11NO3 — CID 59072477

IUPAC(3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILES[2H]N1C(=O)[C@@H]([C@@H](C)O)[C@@H]1C(C)=O
InChIInChI=1S/C7H11NO3/c1-3(9)5-6(4(2)10)8-7(5)11/h3,5-6,9H,1-2H3,(H,8,11)/t3-,5+,6+/m1/s1/i/hD
InChIKeyBIXVDLFCXJRNAJ-KWVSTDHDSA-N
MW158.18 g/mol
LogP-0.93
Rot. Bonds2

About (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one

(3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one (PubChem CID 59072477) has the molecular formula C7H11NO3 and a molecular weight of 158.18 g/mol. Its IUPAC name is (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one
PubChem CID59072477
Molecular FormulaC7H11NO3
Molecular Weight158.18 g/mol
Exact Mass158.08
IUPAC Name(3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILES[2H]N1C(=O)[C@@H]([C@@H](C)O)[C@@H]1C(C)=O
InChIInChI=1S/C7H11NO3/c1-3(9)5-6(4(2)10)8-7(5)11/h3,5-6,9H,1-2H3,(H,8,11)/t3-,5+,6+/m1/s1/i/hD
InChIKeyBIXVDLFCXJRNAJ-KWVSTDHDSA-N
XLogP-0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one (CID 59072477) is (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one.
What is the SMILES notation for (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one is [2H]N1C(=O)[C@@H]([C@@H](C)O)[C@@H]1C(C)=O.
What is the InChIKey of (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is BIXVDLFCXJRNAJ-KWVSTDHDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3(9)5-6(4(2)10)8-7(5)11/h3,5-6,9H,1-2H3,(H,8,11)/t3-,5+,6+/m1/s1/i/hD.
What are the key properties of (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
(3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 158.18 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 59072477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).