(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one

C12H15NO — CID 11830202

IUPAC(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESC[C@H]1CC(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-9-8-12(14)13(9)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyYFUQHGFWJZOZPK-UWVGGRQHSA-N
MW189.26 g/mol
LogP2.37
Rot. Bonds2

About (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one

(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one (PubChem CID 11830202) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
PubChem CID11830202
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESC[C@H]1CC(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C12H15NO/c1-9-8-12(14)13(9)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10-/m0/s1
InChIKeyYFUQHGFWJZOZPK-UWVGGRQHSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aS,7aS)-1-(1-phenylethyl)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 132550857
(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
CID 14465638
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
(5R)-1-ethyl-5-methyl-4-[(1R)-1-phenylethyl]piperazine-2,3-dione
CID 11414299
(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 10538773
(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
(4aR,8aS)-1-[(1R)-1-phenylethyl]-4,4a,5,7,8,8a-hexahydro-3H-quinoline-2,6-dione
CID 7188279
(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
4-[(1S)-1-aminoethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 66713329

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one (CID 11830202) is (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one is C[C@H]1CC(=O)N1[C@@H](C)c1ccccc1.
What is the InChIKey of (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
The InChIKey is YFUQHGFWJZOZPK-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-8-12(14)13(9)10(2)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one?
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one has a molecular weight of 189.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 11830202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).