tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate

C23H27NO4 — CID 101246152

IUPACtert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C23H27NO4/c1-15(25)18-20(22(27)28-23(2,3)4)24(21(18)26)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
InChIKeyGIGUAYKOBGSYFL-XFQXTVEOSA-N
MW381.47 g/mol
LogP3.33
Rot. Bonds5

About tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate

tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate (PubChem CID 101246152) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate
PubChem CID101246152
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Nametert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate
SMILESC[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C23H27NO4/c1-15(25)18-20(22(27)28-23(2,3)4)24(21(18)26)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
InChIKeyGIGUAYKOBGSYFL-XFQXTVEOSA-N
XLogP3.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

N-(diphenyl)methyl-3(S)-[1'(R)-hydroxoethyl]-4(S)-[2",2"-dimethyl-1"-oxopropyl]-2-azetidinone
CID 11382972
(3S,4S)-1-Benzhydryl-4-(cyclopropylcarbonyl)-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 11416796
Ethyl 2-(1-benzhydryl-3-hydroxyazetidin-3-yl)acetate
CID 141103109
ditert-butyl (3S)-3-[(1R)-1-hydroxyethyl]-4-oxo-1-[(1R)-1-phenylethyl]azetidine-2,2-dicarboxylate
CID 11546241
(2S,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carbaldehyde
CID 16082489
(3S,4S)-1-Benzhydryl-4-[(R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(S)-1-hydroxyethyl]-2-azetidinone
CID 53391767
(3S,4S)-1-benzhydryl-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 53391769
[(2R,3R)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl] acetate
CID 53391770
ditert-butyl (2S,4R,6R)-4-hydroxy-6-phenylpiperidine-1,2-dicarboxylate
CID 72713830
ethyl (2R,3R)-2-[bis[(1S)-1-phenylethyl]amino]-3-hydroxy-4-methylpentanoate
CID 101757505
ethyl (2S,3S)-2-[bis[(1R)-1-phenylethyl]amino]-3-hydroxy-4-methylpentanoate
CID 101757506
(3S,4S)-1-benzhydryl-4-[(1R)-1,2-dihydroxyethyl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 134835196

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
The IUPAC name of tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate (CID 101246152) is tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate is C[C@@H](O)[C@H]1C(=O)N(C(c2ccccc2)c2ccccc2)[C@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
The InChIKey is GIGUAYKOBGSYFL-XFQXTVEOSA-N. The full InChI is InChI=1S/C23H27NO4/c1-15(25)18-20(22(27)28-23(2,3)4)24(21(18)26)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 tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate?
tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate has a molecular weight of 381.47 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-1-benzhydryl-3-[(1R)-1-hydroxyethyl]-4-oxoazetidine-2-carboxylate is sourced from PubChem (CID 101246152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).