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

C7H11NO3 — CID 141237578

IUPAC(3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESCC(=O)[C@H]1C(=O)N[C@@H]1[C@@H](C)O
InChIInChI=1S/C7H11NO3/c1-3(9)5-6(4(2)10)8-7(5)11/h4-6,10H,1-2H3,(H,8,11)/t4-,5-,6-/m1/s1
InChIKeySWCJJAAFQPCIIF-HSUXUTPPSA-N
MW157.17 g/mol
LogP-0.93
Rot. Bonds2

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

(3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one (PubChem CID 141237578) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one
PubChem CID141237578
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESCC(=O)[C@H]1C(=O)N[C@@H]1[C@@H](C)O
InChIInChI=1S/C7H11NO3/c1-3(9)5-6(4(2)10)8-7(5)11/h4-6,10H,1-2H3,(H,8,11)/t4-,5-,6-/m1/s1
InChIKeySWCJJAAFQPCIIF-HSUXUTPPSA-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 ≤ 500157.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-3-hydroxy-4-(2-methylpropyl)azetidin-2-one
CID 10012015
4-Acetyl-3-(2-hydroxyethyl)azetidin-2-one
CID 17804641
(4S)-4-(1-hydroxypropyl)azetidin-2-one
CID 18638683
(3R,4R)-3-ethyl-4-(hydroxymethyl)azetidin-2-one
CID 18642577
4-Acetyl-3-(1-hydroxyethyl)azetidin-2-one
CID 19957800
(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 20735660
3-Ethyl-4-(hydroxymethyl)azetidin-2-one
CID 22150115
(3R,4R)-4-acetyl-1-deuterio-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 59072477
(3S,4R)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 69894319
4-(1-Hydroxyethyl)azetidin-2-one
CID 70498789
(3S,4R)-3-acetyl-4-[(1S)-1-butoxyethyl]azetidin-2-one
CID 90244368
3-(1-Hydroxyethyl)-4-propan-2-ylazetidin-2-one
CID 91441042

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one (CID 141237578) is (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one is CC(=O)[C@H]1C(=O)N[C@@H]1[C@@H](C)O.
What is the InChIKey of (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is SWCJJAAFQPCIIF-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3(9)5-6(4(2)10)8-7(5)11/h4-6,10H,1-2H3,(H,8,11)/t4-,5-,6-/m1/s1.
What are the key properties of (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one?
(3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 157.17 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 (3S,4S)-3-acetyl-4-[(1R)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 141237578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).