(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one

C10H19NO2 — CID 166439550

IUPAC(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1[C@@H](O)C(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)7-8(12)9(13)11(7)10(3,4)5/h6-8,12H,1-5H3/t7-,8+/m0/s1
InChIKeyGPLHLPCGOUAOFQ-JGVFFNPUSA-N
MW185.27 g/mol
LogP1.01
Rot. Bonds1

About (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one

(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one (PubChem CID 166439550) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one
PubChem CID166439550
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one
SMILESCC(C)[C@H]1[C@@H](O)C(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)7-8(12)9(13)11(7)10(3,4)5/h6-8,12H,1-5H3/t7-,8+/m0/s1
InChIKeyGPLHLPCGOUAOFQ-JGVFFNPUSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-1-cyclohexyl-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 166436788
(3R,4S)-1,4-ditert-butyl-3-hydroxyazetidin-2-one
CID 166438197
(3R,4S)-4-tert-butyl-1-cyclohexyl-3-hydroxyazetidin-2-one
CID 166439192
(3R,4S)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 20735660
(2R)-1-(azetidin-1-yl)-2-hydroxy-4,4-dimethylpentan-1-one
CID 22975031
(3S,4R)-3-hydroxy-4-propan-2-ylazetidin-2-one
CID 69894319
1-(Azetidin-1-yl)-2-cyclopropyl-2-hydroxyethanone
CID 176039739
3-Hydroxy-4-propan-2-ylazetidin-2-one
CID 22382241
(3S,4R)-4-(1-bromo-2-methylpropan-2-yl)-3-hydroxy-1-propan-2-ylazetidin-2-one
CID 46186032
1-(3-Hydroxyazetidin-1-yl)-4-methylpentan-1-one
CID 63105263
1-(3-Hydroxyazetidin-1-yl)-2-methylpentan-1-one
CID 63106551
1-[2-(1-Hydroxy-2-methylpropyl)azetidin-1-yl]ethanone
CID 84065012

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
The IUPAC name of (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one (CID 166439550) is (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one is CC(C)[C@H]1[C@@H](O)C(=O)N1C(C)(C)C.
What is the InChIKey of (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
The InChIKey is GPLHLPCGOUAOFQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)7-8(12)9(13)11(7)10(3,4)5/h6-8,12H,1-5H3/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one?
(3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one has a molecular weight of 185.27 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-tert-butyl-3-hydroxy-4-propan-2-ylazetidin-2-one is sourced from PubChem (CID 166439550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).