tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate

C15H34N2O3Si — CID 58901310

IUPACtert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
SMILESC[C@@H](N)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H34N2O3Si/c1-11(16)12(17-13(18)20-14(2,3)4)10-19-21(8,9)15(5,6)7/h11-12H,10,16H2,1-9H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyZOQKDPNJKGBEGM-VXGBXAGGSA-N
MW318.53 g/mol
LogP3.25
Rot. Bonds5

About tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate (PubChem CID 58901310) has the molecular formula C15H34N2O3Si and a molecular weight of 318.53 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
PubChem CID58901310
Molecular FormulaC15H34N2O3Si
Molecular Weight318.53 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate
SMILESC[C@@H](N)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H34N2O3Si/c1-11(16)12(17-13(18)20-14(2,3)4)10-19-21(8,9)15(5,6)7/h11-12H,10,16H2,1-9H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyZOQKDPNJKGBEGM-VXGBXAGGSA-N
XLogP3.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.53
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4-methylpent-4-en-2-yl]carbamate
CID 10958910
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
tert-butyl N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyheptadecan-2-yl]carbamate
CID 11752411
(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87219695
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594
tert-butyl N-[(1R)-3-[tert-butyl(dimethyl)silyl]oxy-1-ethoxy-1-(2-iodoethoxy)propan-2-yl]carbamate
CID 87647512
5-[tert-butyl(dimethyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(nitromethyl)pentanoic acid
CID 19691482
[(2R,4R,5S)-1-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]octan-4-yl] methanesulfonate
CID 58714864
tert-butyl N-[(Z)-1-[tert-butyl(dimethyl)silyl]oxy-5-hydroxypent-3-en-2-yl]carbamate
CID 23239903
[(2R,3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-(trifluoromethyl)phenyl]butyl] 2,2-dimethylpropanoate
CID 67144951
tert-butyl N-[(2S,3S)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxooctadecan-2-yl]carbamate
CID 101386007
tert-butyl N-[(3R,4S,5R)-1-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-methylhept-6-en-3-yl]carbamate
CID 140693338

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate (CID 58901310) is tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate is C[C@@H](N)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate?
The InChIKey is ZOQKDPNJKGBEGM-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H34N2O3Si/c1-11(16)12(17-13(18)20-14(2,3)4)10-19-21(8,9)15(5,6)7/h11-12H,10,16H2,1-9H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate?
tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate has a molecular weight of 318.53 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-3-amino-1-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]carbamate is sourced from PubChem (CID 58901310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).