(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one

C12H15NO — CID 10559556

IUPAC(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
SMILESC[C@H]1C(=O)N[C@H]1CCc1ccccc1
InChIInChI=1S/C12H15NO/c1-9-11(13-12(9)14)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11+/m1/s1
InChIKeyXXFXDTXMPUXVQD-KOLCDFICSA-N
MW189.26 g/mol
LogP1.75
Rot. Bonds3

About (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one

(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one (PubChem CID 10559556) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
PubChem CID10559556
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one
SMILESC[C@H]1C(=O)N[C@H]1CCc1ccccc1
InChIInChI=1S/C12H15NO/c1-9-11(13-12(9)14)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11+/m1/s1
InChIKeyXXFXDTXMPUXVQD-KOLCDFICSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R,4S)-4-(2-phenylethyl)-3-propan-2-ylazetidin-2-one
CID 15422959
methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 70987709
(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
trans-(2R,3S)-2-methyl-3-(2-phenylethyl)cyclopentan-1-one
CID 102302633
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
(3S,4S)-3-benzyl-4-propylazetidin-2-one
CID 11820200
5-methyl-3-(2-phenylethyl)thiolane-2,4-dione
CID 174808941
4-methyl-6-(2-phenylethyl)-3-propan-2-ylpiperidin-2-one
CID 58652515
3-(2-phenylethyl)piperidin-2-one
CID 10798202
4-benzyl-3-ethylazetidin-2-one
CID 85185683
methyl (1R,3R,3aR,6aS)-4,6-dioxo-1-(2-phenylethyl)-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylate
CID 134949680
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one?
The IUPAC name of (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one (CID 10559556) is (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one?
The canonical SMILES for (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one is C[C@H]1C(=O)N[C@H]1CCc1ccccc1.
What is the InChIKey of (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one?
The InChIKey is XXFXDTXMPUXVQD-KOLCDFICSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-11(13-12(9)14)8-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H,13,14)/t9-,11+/m1/s1.
What are the key properties of (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one?
(3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methyl-4-(2-phenylethyl)azetidin-2-one is sourced from PubChem (CID 10559556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).