tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate

C25H35N3O5Si — CID 59748424

IUPACtert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(N)=O)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)=O
InChIInChI=1S/C25H35N3O5Si/c1-24(2,3)32-23(31)28-19(21(26)29)20(22(27)30)33-34(25(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3,(H2,26,29)(H2,27,30)(H,28,31)/t19-,20+/m1/s1
InChIKeyUTZDXWSIKKXKHN-UXHICEINSA-N
MW485.66 g/mol
LogP1.80
Rot. Bonds8

About tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate

tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate (PubChem CID 59748424) has the molecular formula C25H35N3O5Si and a molecular weight of 485.66 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate
PubChem CID59748424
Molecular FormulaC25H35N3O5Si
Molecular Weight485.66 g/mol
Exact Mass485.23
IUPAC Nametert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](C(N)=O)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)=O
InChIInChI=1S/C25H35N3O5Si/c1-24(2,3)32-23(31)28-19(21(26)29)20(22(27)30)33-34(25(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3,(H2,26,29)(H2,27,30)(H,28,31)/t19-,20+/m1/s1
InChIKeyUTZDXWSIKKXKHN-UXHICEINSA-N
XLogP1.80
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.66
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 10812418
tert-butyl N-[(2R,3S)-1-[tert-butyl(diphenyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]carbamate
CID 10940678
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidine-1-carboxylate
CID 11713890
tert-butyl N-[(2S)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 60201108
tert-butyl N-[(2R)-1-[[(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-diphenylphosphanylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 101777670
tert-butyl N-[(2R,3R)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
CID 102450324
tert-butyl N-[(2R,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1-oxopent-4-en-2-yl]carbamate
CID 134840212
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid methyl ester
CID 10719205
2-(t-Butoxycarbonylamino)-3-(t-butyldiphenylsiloxy)propanal
CID 23240415
Boc-Leu-Ser(TBDPS)-OMe
CID 59706022
Boc-Gly-Ser(TBDPS)-OMe
CID 70328006
Methyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 85244119

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate (CID 59748424) is tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](C(N)=O)[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(N)=O.
What is the InChIKey of tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate?
The InChIKey is UTZDXWSIKKXKHN-UXHICEINSA-N. The full InChI is InChI=1S/C25H35N3O5Si/c1-24(2,3)32-23(31)28-19(21(26)29)20(22(27)30)33-34(25(4,5)6,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19-20H,1-6H3,(H2,26,29)(H2,27,30)(H,28,31)/t19-,20+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate?
tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate has a molecular weight of 485.66 g/mol, XLogP of 1.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate is sourced from PubChem (CID 59748424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).