benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C34H45NO5Si — CID 45142389

IUPACbenzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C34H45NO5Si/c1-26(23-30(35-32(37)40-33(2,3)4)31(36)38-25-27-17-11-8-12-18-27)24-39-41(34(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22,26,30H,23-25H2,1-7H3,(H,35,37)/t26-,30+/m0/s1
InChIKeyJYOUUDDBMQWEMA-FREGXXQWSA-N
MW575.82 g/mol
LogP6.23
Rot. Bonds11

About benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 45142389) has the molecular formula C34H45NO5Si and a molecular weight of 575.82 g/mol. Its IUPAC name is benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namebenzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID45142389
Molecular FormulaC34H45NO5Si
Molecular Weight575.82 g/mol
Exact Mass575.31
IUPAC Namebenzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIInChI=1S/C34H45NO5Si/c1-26(23-30(35-32(37)40-33(2,3)4)31(36)38-25-27-17-11-8-12-18-27)24-39-41(34(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22,26,30H,23-25H2,1-7H3,(H,35,37)/t26-,30+/m0/s1
InChIKeyJYOUUDDBMQWEMA-FREGXXQWSA-N
XLogP6.23
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.82
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
(3R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 69018009
tert-butyl N-[(2S)-1-[[tert-butyl(diphenyl)silyl]oxyamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 10576853
tert-butyl N-[1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 23240415
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
benzyl (2R)-2-[[(2S)-1-[(2R)-2-[[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-2-yl]carbamoylamino]-4-methylpentanoyl]oxy-4-methylpentan-2-yl]carbamoylamino]-4-methylpentanoate
CID 46178216
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
benzyl (2S)-4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfanylidenebutanoate
CID 86654757
dibenzyl (2R,7R)-2,7-bis[(2-methylpropan-2-yl)oxycarbonylamino]octanedioate
CID 10886402
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
5-O-benzyl 1-O-methyl (2R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxymethyl)pentanedioate
CID 90340953
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-2-methyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 66637054

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 45142389) is benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is JYOUUDDBMQWEMA-FREGXXQWSA-N. The full InChI is InChI=1S/C34H45NO5Si/c1-26(23-30(35-32(37)40-33(2,3)4)31(36)38-25-27-17-11-8-12-18-27)24-39-41(34(5,6)7,28-19-13-9-14-20-28)29-21-15-10-16-22-29/h8-22,26,30H,23-25H2,1-7H3,(H,35,37)/t26-,30+/m0/s1.
What are the key properties of benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 575.82 g/mol, XLogP of 6.23, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 45142389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).