3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid

C20H27NO3Si — CID 86196394

IUPAC3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
SMILESCNC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21-4)19(22)23/h5-14,18,21H,15H2,1-4H3,(H,22,23)
InChIKeyBFTVGHHJNAMBIP-UHFFFAOYSA-N
MW357.53 g/mol
LogP2.24
Rot. Bonds7

About 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid

3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid (PubChem CID 86196394) has the molecular formula C20H27NO3Si and a molecular weight of 357.53 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
PubChem CID86196394
Molecular FormulaC20H27NO3Si
Molecular Weight357.53 g/mol
Exact Mass357.18
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid
SMILESCNC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C20H27NO3Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21-4)19(22)23/h5-14,18,21H,15H2,1-4H3,(H,22,23)
InChIKeyBFTVGHHJNAMBIP-UHFFFAOYSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
3-[tert-butyl(diphenyl)silyl]oxy-2-phenylpropanoic acid
CID 168947861
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
ethyl 3-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 175198201
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
CID 11025490
[3-[tert-butyl(diphenyl)silyl]oxy-1-(methylamino)-1-oxopropan-2-yl] carbamate
CID 175494998
methyl (2S,4R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptanoate
CID 102512037
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
9-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoic acid
CID 138985529

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid (CID 86196394) is 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid is CNC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid?
The InChIKey is BFTVGHHJNAMBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3Si/c1-20(2,3)25(16-11-7-5-8-12-16,17-13-9-6-10-14-17)24-15-18(21-4)19(22)23/h5-14,18,21H,15H2,1-4H3,(H,22,23).
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid?
3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid has a molecular weight of 357.53 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxy-2-(methylamino)propanoic acid is sourced from PubChem (CID 86196394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).