methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate

C18H31NO3Si — CID 85169933

IUPACmethyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)C(NCc1ccccc1)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-14(22-23(6,7)18(2,3)4)16(17(20)21-5)19-13-15-11-9-8-10-12-15/h8-12,14,16,19H,13H2,1-7H3
InChIKeyRCDKHHNLWSTJJY-UHFFFAOYSA-N
MW337.54 g/mol
LogP3.73
Rot. Bonds7

About methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate

methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate (PubChem CID 85169933) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate
PubChem CID85169933
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Namemethyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate
SMILESCOC(=O)C(NCc1ccccc1)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H31NO3Si/c1-14(22-23(6,7)18(2,3)4)16(17(20)21-5)19-13-15-11-9-8-10-12-15/h8-12,14,16,19H,13H2,1-7H3
InChIKeyRCDKHHNLWSTJJY-UHFFFAOYSA-N
XLogP3.73
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-(benzylamino)propanoate
CID 426249
N-Benzyl-L-serine, methyl ester
CID 11790456
(S)-methyl 2-(benzylamino)propanoate
CID 10535780
methyl (2R)-2-(benzylamino)propanoate
CID 10987118
N,N-Dibenzyl-O-(t-butyldimethylsilyl)-L-serine methyl ester
CID 11350497
Methyl 2-(benzylamino)propanoate hydrochloride
CID 24195467
methyl (2S,3R)-2-(benzylamino)-3-hydroxybutanoate
CID 13483447
Ethyl 2-(benzylamino)-2-methylpent-4-enoate
CID 16759377
Diethyl 2-(benzylamino)malonate
CID 429236
methyl N-benzyl-O-[tert-butyl(dimethyl)silyl]-D-serinate
CID 15456533
Methyl (2R)-2-(benzylamino)butanoate
CID 10727030
Ethyl 2-(benzylamino)propanoate
CID 222273

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The IUPAC name of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate (CID 85169933) is methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate.
What is the SMILES notation for methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The canonical SMILES for methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate is COC(=O)C(NCc1ccccc1)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
The InChIKey is RCDKHHNLWSTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-14(22-23(6,7)18(2,3)4)16(17(20)21-5)19-13-15-11-9-8-10-12-15/h8-12,14,16,19H,13H2,1-7H3.
What are the key properties of methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate?
methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate has a molecular weight of 337.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxybutanoate is sourced from PubChem (CID 85169933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).