methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate

C22H47NO5Si — CID 87060376

IUPACmethyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate
SMILESCOC(=O)CCC(C(OC)OC)N(C(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C22H47NO5Si/c1-16(2)19(15-28-29(11,12)22(5,6)7)23(17(3)4)18(21(26-9)27-10)13-14-20(24)25-8/h16-19,21H,13-15H2,1-12H3/t18?,19-/m1/s1
InChIKeyYWWPGNJJKLANRF-MUMRKEEXSA-N
MW433.71 g/mol
LogP4.68
Rot. Bonds13

About methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate

methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate (PubChem CID 87060376) has the molecular formula C22H47NO5Si and a molecular weight of 433.71 g/mol. Its IUPAC name is methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate.

Molecular Properties

Compound Namemethyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate
PubChem CID87060376
Molecular FormulaC22H47NO5Si
Molecular Weight433.71 g/mol
Exact Mass433.32
IUPAC Namemethyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate
SMILESCOC(=O)CCC(C(OC)OC)N(C(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C22H47NO5Si/c1-16(2)19(15-28-29(11,12)22(5,6)7)23(17(3)4)18(21(26-9)27-10)13-14-20(24)25-8/h16-19,21H,13-15H2,1-12H3/t18?,19-/m1/s1
InChIKeyYWWPGNJJKLANRF-MUMRKEEXSA-N
XLogP4.68
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.71
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
methyl (4S,5S,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyheptanoate
CID 24828635
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
propan-2-yl 5-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]pentanoate
CID 167430533
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-methylheptan-2-one
CID 11043924
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
4-O-[tert-butyl(dimethyl)silyl] 1-O-methyl butanedioate
CID 87697847
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
methyl (E,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-4,5-dimethylhept-3-enoate
CID 11723324
5-[tert-butyl(dimethyl)silyl]oxy-4-methoxypentane-2,3-dione
CID 121003661

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate?
The IUPAC name of methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate (CID 87060376) is methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate.
What is the SMILES notation for methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate?
The canonical SMILES for methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate is COC(=O)CCC(C(OC)OC)N(C(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate?
The InChIKey is YWWPGNJJKLANRF-MUMRKEEXSA-N. The full InChI is InChI=1S/C22H47NO5Si/c1-16(2)19(15-28-29(11,12)22(5,6)7)23(17(3)4)18(21(26-9)27-10)13-14-20(24)25-8/h16-19,21H,13-15H2,1-12H3/t18?,19-/m1/s1.
What are the key properties of methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate?
methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate has a molecular weight of 433.71 g/mol, XLogP of 4.68, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-propan-2-ylamino]-5,5-dimethoxypentanoate is sourced from PubChem (CID 87060376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).