2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid

C18H31NO3Si — CID 174601955

IUPAC2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
SMILESCCC(O[Si](C)(C)C(C)(C)C)C(NCc1ccccc1)C(=O)O
InChIInChI=1S/C18H31NO3Si/c1-7-15(22-23(5,6)18(2,3)4)16(17(20)21)19-13-14-11-9-8-10-12-14/h8-12,15-16,19H,7,13H2,1-6H3,(H,20,21)
InChIKeyJDXMBSWAENLEBS-UHFFFAOYSA-N
MW337.54 g/mol
LogP4.03
Rot. Bonds8

About 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid

2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid (PubChem CID 174601955) has the molecular formula C18H31NO3Si and a molecular weight of 337.54 g/mol. Its IUPAC name is 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid.

Molecular Properties

Compound Name2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
PubChem CID174601955
Molecular FormulaC18H31NO3Si
Molecular Weight337.54 g/mol
Exact Mass337.21
IUPAC Name2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid
SMILESCCC(O[Si](C)(C)C(C)(C)C)C(NCc1ccccc1)C(=O)O
InChIInChI=1S/C18H31NO3Si/c1-7-15(22-23(5,6)18(2,3)4)16(17(20)21)19-13-14-11-9-8-10-12-14/h8-12,15-16,19H,7,13H2,1-6H3,(H,20,21)
InChIKeyJDXMBSWAENLEBS-UHFFFAOYSA-N
XLogP4.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.54
LogP ≤ 54.03
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

methyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 10248295
(2S,3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxyoctadecan-2-amine
CID 46237115
(3S,4R)-3-(benzylamino)-4-methoxyhexan-2-one
CID 95048845
(2S)-2-(benzylamino)-3-phenylbutanoic acid
CID 141046976
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(2S)-2-[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanoyl]amino]-3-methylbutanoic acid
CID 70085517
methyl (2S)-2-(benzylamino)-3-methylpentanoate
CID 71027070
(2S,3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-5-phenyl-2-[(9-phenylfluoren-9-yl)amino]pentanoic acid
CID 90465698
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
tert-butyl (2R,3R)-2-[(benzylamino)methyl]-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 10069177
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
The IUPAC name of 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid (CID 174601955) is 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid.
What is the SMILES notation for 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
The canonical SMILES for 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid is CCC(O[Si](C)(C)C(C)(C)C)C(NCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
The InChIKey is JDXMBSWAENLEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3Si/c1-7-15(22-23(5,6)18(2,3)4)16(17(20)21)19-13-14-11-9-8-10-12-14/h8-12,15-16,19H,7,13H2,1-6H3,(H,20,21).
What are the key properties of 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid?
2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid has a molecular weight of 337.54 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-3-[tert-butyl(dimethyl)silyl]oxypentanoic acid is sourced from PubChem (CID 174601955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).