tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate

C27H40N2O4Si — CID 169099984

IUPACtert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate
SMILESCNC(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H40N2O4Si/c1-26(2,3)33-25(31)29-21(18-19-24(30)28-7)20-32-34(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21H,18-20H2,1-7H3,(H,28,30)(H,29,31)/t21-/m0/s1
InChIKeyARUDTMPJHRWAHQ-NRFANRHFSA-N
MW484.71 g/mol
LogP3.98
Rot. Bonds9

About tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate (PubChem CID 169099984) has the molecular formula C27H40N2O4Si and a molecular weight of 484.71 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate
PubChem CID169099984
Molecular FormulaC27H40N2O4Si
Molecular Weight484.71 g/mol
Exact Mass484.28
IUPAC Nametert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate
SMILESCNC(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C27H40N2O4Si/c1-26(2,3)33-25(31)29-21(18-19-24(30)28-7)20-32-34(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21H,18-20H2,1-7H3,(H,28,30)(H,29,31)/t21-/m0/s1
InChIKeyARUDTMPJHRWAHQ-NRFANRHFSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.71
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate 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

(S)-5-(((tert-Butyldiphenylsilyl)oxy)methyl)pyrrolidin-2-one
CID 10882735
(S)-tert-Butyl 2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11762195
(3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-3-(fluoromethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 12111286
tert-Butyl (R)-2-(((tert-butyldiphenylsilyl)oxy)methyl)-5-oxopyrrolidine-1-carboxylate
CID 11826537
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 59316108
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-yl]carbamate
CID 162415527
(5R)-5-[(tert-Butyldiphenylsilyloxy)methyl]pyrrolidine-2-one
CID 10948196
tert-butyl (2S,3R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-ethenyl-5-oxopyrrolidine-1-carboxylate
CID 21681573
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-6-nitrohexan-2-yl]carbamate
CID 11249074
tert-butyl (2S,3S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxo-3-(trideuteriomethyl)pyrrolidine-1-carboxylate
CID 11465570
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidine-1-carboxylate
CID 11713890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate (CID 169099984) is tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate is CNC(=O)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate?
The InChIKey is ARUDTMPJHRWAHQ-NRFANRHFSA-N. The full InChI is InChI=1S/C27H40N2O4Si/c1-26(2,3)33-25(31)29-21(18-19-24(30)28-7)20-32-34(27(4,5)6,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21H,18-20H2,1-7H3,(H,28,30)(H,29,31)/t21-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate has a molecular weight of 484.71 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate is sourced from PubChem (CID 169099984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).