tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate

C20H41NO7Si — CID 10717754

IUPACtert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C20H41NO7Si/c1-18(2,3)28-17(24)21-15(13(23)11-22)16-14(26-20(7,8)27-16)12-25-29(9,10)19(4,5)6/h13-16,22-23H,11-12H2,1-10H3,(H,21,24)/t13-,14+,15-,16-/m1/s1
InChIKeyOJZYTBNCDUCDCR-QKPAOTATSA-N
MW435.63 g/mol
LogP2.77
Rot. Bonds7

About tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate

tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate (PubChem CID 10717754) has the molecular formula C20H41NO7Si and a molecular weight of 435.63 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate
PubChem CID10717754
Molecular FormulaC20H41NO7Si
Molecular Weight435.63 g/mol
Exact Mass435.27
IUPAC Nametert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@H](O)CO
InChIInChI=1S/C20H41NO7Si/c1-18(2,3)28-17(24)21-15(13(23)11-22)16-14(26-20(7,8)27-16)12-25-29(9,10)19(4,5)6/h13-16,22-23H,11-12H2,1-10H3,(H,21,24)/t13-,14+,15-,16-/m1/s1
InChIKeyOJZYTBNCDUCDCR-QKPAOTATSA-N
XLogP2.77
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate 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 tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate (CID 10717754) is tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate is CC(C)(C)OC(=O)N[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@H](O)CO.
What is the InChIKey of tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is OJZYTBNCDUCDCR-QKPAOTATSA-N. The full InChI is InChI=1S/C20H41NO7Si/c1-18(2,3)28-17(24)21-15(13(23)11-22)16-14(26-20(7,8)27-16)12-25-29(9,10)19(4,5)6/h13-16,22-23H,11-12H2,1-10H3,(H,21,24)/t13-,14+,15-,16-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 435.63 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-1-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 10717754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).