tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C34H73IN2O10Si2 — CID 167628246

IUPACtert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESC.CC(C)(C)[Si](C)(C)CI.COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O.COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO5Si.C10H19NO5.C7H17ISi.CH4/c1-11(22-23(9,10)16(5,6)7)12(13(18)20-8)17-14(19)21-15(2,3)4;1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4;1-7(2,3)9(4,5)6-8;/h11-12H,1-10H3,(H,17,19);6-7,12H,1-5H3,(H,11,14);6H2,1-5H3;1H4/t11-,12-;6-,7-;;/m11../s1
InChIKeyNKNZPTGLOFVVPG-NJPVMCSDSA-N
MW853.04 g/mol
LogP8.00
Rot. Bonds9

About tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 167628246) has the molecular formula C34H73IN2O10Si2 and a molecular weight of 853.04 g/mol. Its IUPAC name is tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Nametert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID167628246
Molecular FormulaC34H73IN2O10Si2
Molecular Weight853.04 g/mol
Exact Mass852.38
IUPAC Nametert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESC.CC(C)(C)[Si](C)(C)CI.COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O.COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33NO5Si.C10H19NO5.C7H17ISi.CH4/c1-11(22-23(9,10)16(5,6)7)12(13(18)20-8)17-14(19)21-15(2,3)4;1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4;1-7(2,3)9(4,5)6-8;/h11-12H,1-10H3,(H,17,19);6-7,12H,1-5H3,(H,11,14);6H2,1-5H3;1H4/t11-,12-;6-,7-;;/m11../s1
InChIKeyNKNZPTGLOFVVPG-NJPVMCSDSA-N
XLogP8.00
TPSA158.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.04
LogP ≤ 58.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate 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

tert-butyl N-[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-[[(2S)-2-hydroxypropyl]amino]-1-oxobutan-2-yl]carbamate
CID 11079679
methyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropanoylamino)butanoate
CID 142596258
methyl (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87786553
methyl (2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 124652362
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
tert-butyl N-[(3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-diazo-2-oxopentan-3-yl]carbamate
CID 137302671
ethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 174136590
tert-butyl N-[(3S,4R)-1-amino-4-hydroxy-1,2-dioxopentan-3-yl]carbamate
CID 130405478
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
methyl (2S,3R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-trimethylsilylpent-4-enoate
CID 101221457
methyl (2R,3S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130655477
tert-butyl N-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-(prop-2-enylamino)butan-2-yl]carbamate
CID 73056650

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 167628246) is tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is C.CC(C)(C)[Si](C)(C)CI.COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O.COC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is NKNZPTGLOFVVPG-NJPVMCSDSA-N. The full InChI is InChI=1S/C16H33NO5Si.C10H19NO5.C7H17ISi.CH4/c1-11(22-23(9,10)16(5,6)7)12(13(18)20-8)17-14(19)21-15(2,3)4;1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4;1-7(2,3)9(4,5)6-8;/h11-12H,1-10H3,(H,17,19);6-7,12H,1-5H3,(H,11,14);6H2,1-5H3;1H4/t11-,12-;6-,7-;;/m11../s1.
What are the key properties of tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 853.04 g/mol, XLogP of 8.00, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(iodomethyl)-dimethylsilane;methane;methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;methyl (2R,3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 167628246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).