(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one

C16H32N2O4Si — CID 123629490

IUPAC(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
SMILESCC1(C)OC[C@H]([C@H]2[C@@H](N)C(=O)N2CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32N2O4Si/c1-15(2,3)23(6,7)21-9-8-18-13(12(17)14(18)19)11-10-20-16(4,5)22-11/h11-13H,8-10,17H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyKTUGALJSHKDFMZ-UPJWGTAASA-N
MW344.53 g/mol
LogP1.70
Rot. Bonds5

About (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one

(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one (PubChem CID 123629490) has the molecular formula C16H32N2O4Si and a molecular weight of 344.53 g/mol. Its IUPAC name is (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
PubChem CID123629490
Molecular FormulaC16H32N2O4Si
Molecular Weight344.53 g/mol
Exact Mass344.21
IUPAC Name(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
SMILESCC1(C)OC[C@H]([C@H]2[C@@H](N)C(=O)N2CCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C16H32N2O4Si/c1-15(2,3)23(6,7)21-9-8-18-13(12(17)14(18)19)11-10-20-16(4,5)22-11/h11-13H,8-10,17H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyKTUGALJSHKDFMZ-UPJWGTAASA-N
XLogP1.70
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-1-but-3-enyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-methoxyazetidin-2-one
CID 10729699
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10828234
tert-butyl-[[(1S,2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclopropyl]methoxy]-dimethylsilane
CID 102183768
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
CID 11360349
(3R,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 14103109
(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 141190377
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 16655821
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-2-yl] acetate
CID 70435747
(1S,4S,5S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-methoxy-6-azabicyclo[3.2.0]hept-2-en-7-one
CID 102066615
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
The IUPAC name of (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one (CID 123629490) is (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one.
What is the SMILES notation for (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
The canonical SMILES for (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one is CC1(C)OC[C@H]([C@H]2[C@@H](N)C(=O)N2CCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
The InChIKey is KTUGALJSHKDFMZ-UPJWGTAASA-N. The full InChI is InChI=1S/C16H32N2O4Si/c1-15(2,3)23(6,7)21-9-8-18-13(12(17)14(18)19)11-10-20-16(4,5)22-11/h11-13H,8-10,17H2,1-7H3/t11-,12-,13+/m1/s1.
What are the key properties of (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one?
(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one has a molecular weight of 344.53 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one is sourced from PubChem (CID 123629490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).