(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one

C16H16N2O — CID 40999549

IUPAC(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
SMILESN[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H16N2O/c17-14-15(13-9-5-2-6-10-13)18(16(14)19)11-12-7-3-1-4-8-12/h1-10,14-15H,11,17H2/t14-,15-/m0/s1
InChIKeyJAUNCKDTAJDBHE-GJZGRUSLSA-N
MW252.32 g/mol
LogP2.10
Rot. Bonds3

About (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one

(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one (PubChem CID 40999549) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
PubChem CID40999549
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
SMILESN[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C16H16N2O/c17-14-15(13-9-5-2-6-10-13)18(16(14)19)11-12-7-3-1-4-8-12/h1-10,14-15H,11,17H2/t14-,15-/m0/s1
InChIKeyJAUNCKDTAJDBHE-GJZGRUSLSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-benzyl-4-(3-methoxyphenyl)azetidin-2-one
CID 102537099
(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
CID 124504268
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(3R,4S)-3-amino-1-benzyl-4-(2,4-dichlorophenyl)azetidin-2-one
CID 124504287
3-amino-1-benzyl-4-(5-methylfuran-2-yl)azetidin-2-one
CID 102537098
4-amino-1-benzyl-5-phenylpyrrolidin-2-one
CID 83693774
(4S)-1-benzyl-3-ethenyl-4-phenylazetidin-2-one
CID 11265521
(3S,4R)-3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504340
3-amino-4-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 102537119
3-amino-1-[(4-fluorophenyl)methyl]-4-(4-methylphenyl)azetidin-2-one
CID 102537109
(3R,4S)-3-amino-4-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 124504311
1-benzyl-3-hydroxy-4-(4-methylphenyl)azetidin-2-one
CID 91824522

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one (CID 40999549) is (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one is N[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one?
The InChIKey is JAUNCKDTAJDBHE-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H16N2O/c17-14-15(13-9-5-2-6-10-13)18(16(14)19)11-12-7-3-1-4-8-12/h1-10,14-15H,11,17H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one?
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one is sourced from PubChem (CID 40999549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).