(3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one

C23H27NO3 — CID 11382972

IUPAC(3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C23H27NO3/c1-15(25)18-20(21(26)23(2,3)4)24(22(18)27)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-20,25H,1-4H3/t15-,18-,20+/m1/s1
InChIKeyBFUGSNHRVCCSJR-ZTNFWEORSA-N
MW365.47 g/mol
LogP3.60
Rot. Bonds5

About (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one

(3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one (PubChem CID 11382972) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one
PubChem CID11382972
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name(3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)C(C)(C)C
InChIInChI=1S/C23H27NO3/c1-15(25)18-20(21(26)23(2,3)4)24(22(18)27)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-20,25H,1-4H3/t15-,18-,20+/m1/s1
InChIKeyBFUGSNHRVCCSJR-ZTNFWEORSA-N
XLogP3.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The IUPAC name of (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one (CID 11382972) is (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The canonical SMILES for (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one is C[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@@H]1C(=O)C(C)(C)C.
What is the InChIKey of (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
The InChIKey is BFUGSNHRVCCSJR-ZTNFWEORSA-N. The full InChI is InChI=1S/C23H27NO3/c1-15(25)18-20(21(26)23(2,3)4)24(22(18)27)19(16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18-20,25H,1-4H3/t15-,18-,20+/m1/s1.
What are the key properties of (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one?
(3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one has a molecular weight of 365.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzhydryl-4-(2,2-dimethylpropanoyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one is sourced from PubChem (CID 11382972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).