(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one

C17H17NO — CID 10538773

IUPAC(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILES[2H][C@H]1C(=O)N([C@H](C)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-8-4-2-5-9-14)18-16(12-17(18)19)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16+/m1/s1/i12D/t12-,13-,16+
InChIKeyABKPBDQKMBOBLP-HZQNGURISA-N
MW252.34 g/mol
LogP3.72
Rot. Bonds3

About (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one

(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one (PubChem CID 10538773) has the molecular formula C17H17NO and a molecular weight of 252.34 g/mol. Its IUPAC name is (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
PubChem CID10538773
Molecular FormulaC17H17NO
Molecular Weight252.34 g/mol
Exact Mass252.14
IUPAC Name(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
SMILES[2H][C@H]1C(=O)N([C@H](C)c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H17NO/c1-13(14-8-4-2-5-9-14)18-16(12-17(18)19)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16+/m1/s1/i12D/t12-,13-,16+
InChIKeyABKPBDQKMBOBLP-HZQNGURISA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
(3aS,7aS)-1-(1-phenylethyl)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 132550857
(2S,4aS,8aS)-2-phenyl-1-[(1R)-1-phenylethyl]-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
CID 102237905
(2S)-2-methyl-1-[(1R)-1-phenylethyl]-2,6-dihydropyridin-3-one
CID 15468730
(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
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630
(1S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-6-one
CID 10703897
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
2,6-diphenyl-3,7-bis[(1S)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane
CID 102515555
3,7-bis[(1R)-1-phenylethyl]-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CID 134961753
(4S)-1-[(1S)-1-phenylethyl]-4-[(E)-1-phenylprop-1-en-2-yl]azetidin-2-one
CID 14465638

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one (CID 10538773) is (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one is [2H][C@H]1C(=O)N([C@H](C)c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
The InChIKey is ABKPBDQKMBOBLP-HZQNGURISA-N. The full InChI is InChI=1S/C17H17NO/c1-13(14-8-4-2-5-9-14)18-16(12-17(18)19)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3/t13-,16+/m1/s1/i12D/t12-,13-,16+.
What are the key properties of (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one?
(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one has a molecular weight of 252.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 10538773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).