2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid

C20H31NO5Si — CID 22284157

IUPAC2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
SMILESCC(=O)N(CC(=O)c1ccccc1)C(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO5Si/c1-14(26-27(6,7)20(3,4)5)18(19(24)25)21(15(2)22)13-17(23)16-11-9-8-10-12-16/h8-12,14,18H,13H2,1-7H3,(H,24,25)
InChIKeyRTWXHVDPJMYADW-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.58
Rot. Bonds8

About 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid

2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid (PubChem CID 22284157) has the molecular formula C20H31NO5Si and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid.

Molecular Properties

Compound Name2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
PubChem CID22284157
Molecular FormulaC20H31NO5Si
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
SMILESCC(=O)N(CC(=O)c1ccccc1)C(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H31NO5Si/c1-14(26-27(6,7)20(3,4)5)18(19(24)25)21(15(2)22)13-17(23)16-11-9-8-10-12-16/h8-12,14,18H,13H2,1-7H3,(H,24,25)
InChIKeyRTWXHVDPJMYADW-UHFFFAOYSA-N
XLogP3.58
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.58
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

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 11689460
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[methyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 159754279
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[deuteriomethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 142504183
N-methyl-N-phenacylacetamide
CID 15482185
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutan-2-one
CID 101209372
2-[acetyl(phenacyl)amino]-3-methoxypropanamide
CID 22284717
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
[(2R,3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxyhex-5-yn-2-yl] benzoate
CID 11152252
S-phenyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypropanethioate
CID 134886996
2-[acetyl(phenacyl)amino]-4-methoxybutanamide
CID 22284687
[(2R,3S,4E,6E,8E,10E)-3-[tert-butyl(dimethyl)silyl]oxy-12-oxododeca-4,6,8,10-tetraen-2-yl] benzoate
CID 11059015
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The IUPAC name of 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid (CID 22284157) is 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid.
What is the SMILES notation for 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The canonical SMILES for 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid is CC(=O)N(CC(=O)c1ccccc1)C(C(=O)O)C(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The InChIKey is RTWXHVDPJMYADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5Si/c1-14(26-27(6,7)20(3,4)5)18(19(24)25)21(15(2)22)13-17(23)16-11-9-8-10-12-16/h8-12,14,18H,13H2,1-7H3,(H,24,25).
What are the key properties of 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid has a molecular weight of 393.56 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(phenacyl)amino]-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid is sourced from PubChem (CID 22284157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).