(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

C15H27NO5Si — CID 23239583

IUPAC(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)O[C@@H]([C@@H]2CC(=O)N2[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O1
InChIInChI=1S/C15H27NO5Si/c1-14(2,3)22(6,7)16-9(8-10(16)17)11-12(13(18)19)21-15(4,5)20-11/h9,11-12H,8H2,1-7H3,(H,18,19)/t9-,11-,12-/m0/s1
InChIKeyYXNKOVJFHAAGJA-DLOVCJGASA-N
MW329.47 g/mol
LogP2.20
Rot. Bonds3

About (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (PubChem CID 23239583) has the molecular formula C15H27NO5Si and a molecular weight of 329.47 g/mol. Its IUPAC name is (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.

Molecular Properties

Compound Name(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
PubChem CID23239583
Molecular FormulaC15H27NO5Si
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
SMILESCC1(C)O[C@@H]([C@@H]2CC(=O)N2[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O1
InChIInChI=1S/C15H27NO5Si/c1-14(2,3)22(6,7)16-9(8-10(16)17)11-12(13(18)19)21-15(4,5)20-11/h9,11-12H,8H2,1-7H3,(H,18,19)/t9-,11-,12-/m0/s1
InChIKeyYXNKOVJFHAAGJA-DLOVCJGASA-N
XLogP2.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid 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

(4S)-1-[tert-butyl(dimethyl)silyl]-4-[(E)-2-iodoprop-1-enyl]azetidin-2-one
CID 102594612
1-[tert-butyl(dimethyl)silyl]-4-(2,2-dihydroxyethyl)azetidin-2-one
CID 57138276
(4R,5R)-2,2-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dioxolane-4-carboxylic acid
CID 122670301
(2S)-1-[tert-butyl(dimethyl)silyl]-N-methoxy-N-methyl-4-oxoazetidine-2-carboxamide
CID 53468918
(4S,4aS,8R,8aR)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6,6-tetramethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carboxylic acid
CID 122173438
(2S,3S)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10421900
(1S,2S,6S,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
CID 140579372
(2R,3R)-1-[tert-butyl(dimethyl)silyl]-3-methyl-4-oxoazetidine-2-carboxylic acid
CID 10037438
(3aR,4S,7R,7aS)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-carboxylic acid
CID 10904185
(3aS,4S,6R,6aR)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid
CID 131040038
(1R,2R,6S,7S)-8-acetyl-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.1.02,6]decan-9-one
CID 58816824
(5S)-5-[(4S)-5-(azidomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 169302336

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The IUPAC name of (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (CID 23239583) is (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid.
What is the SMILES notation for (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The canonical SMILES for (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is CC1(C)O[C@@H]([C@@H]2CC(=O)N2[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O1.
What is the InChIKey of (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
The InChIKey is YXNKOVJFHAAGJA-DLOVCJGASA-N. The full InChI is InChI=1S/C15H27NO5Si/c1-14(2,3)22(6,7)16-9(8-10(16)17)11-12(13(18)19)21-15(4,5)20-11/h9,11-12H,8H2,1-7H3,(H,18,19)/t9-,11-,12-/m0/s1.
What are the key properties of (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid?
(4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid has a molecular weight of 329.47 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-[(2S)-1-[tert-butyl(dimethyl)silyl]-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid is sourced from PubChem (CID 23239583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).