(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid

C25H33NO4Si — CID 10741724

IUPAC(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
SMILESCC(C)(C)OC(=O)N[C@H](/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C25H33NO4Si/c1-24(2,3)30-23(29)26-21(22(27)28)17-18-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,21H,1-6H3,(H,26,29)(H,27,28)/b18-17+/t21-/m1/s1
InChIKeyQOMPPLAGYHEWMX-RURFIKTLSA-N
MW439.63 g/mol
LogP4.12
Rot. Bonds6

About (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid

(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid (PubChem CID 10741724) has the molecular formula C25H33NO4Si and a molecular weight of 439.63 g/mol. Its IUPAC name is (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid.

Molecular Properties

Compound Name(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
PubChem CID10741724
Molecular FormulaC25H33NO4Si
Molecular Weight439.63 g/mol
Exact Mass439.22
IUPAC Name(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid
SMILESCC(C)(C)OC(=O)N[C@H](/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O
InChIInChI=1S/C25H33NO4Si/c1-24(2,3)30-23(29)26-21(22(27)28)17-18-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,21H,1-6H3,(H,26,29)(H,27,28)/b18-17+/t21-/m1/s1
InChIKeyQOMPPLAGYHEWMX-RURFIKTLSA-N
XLogP4.12
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.63
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (R)-(1-((tert-butyldiphenylsilyl)oxy)-3-hydroxypropan-2-yl)carbamate
CID 10960965
(S)-tert-butyl(1-((tert-butyldiphenylsilyl)oxy)-4-hydroxybutan-2-yl)carbamate
CID 69358153
(2S,3R)-2-tert-Butoxycarbonylamino-3-(tert-butyl-diphenyl-silanyloxy)-butyric acid
CID 86709669
(2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 10527141
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-oxopropan-2-yl]carbamate
CID 10812418
tert-butyl N-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]carbamate
CID 11618502
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-triphenylsilylpropanoate
CID 15391418
(2R)-4-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 15453554
tert-butyl N-[(1S)-1-[methyl(diphenyl)silyl]prop-2-enyl]carbamate
CID 101251333
methyl (2S)-3-[dimethyl(phenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121986
methyl (2S)-3-[methyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121987
methyl (2S)-3-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102121989

Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid?
The IUPAC name of (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid (CID 10741724) is (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid.
What is the SMILES notation for (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid?
The canonical SMILES for (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid is CC(C)(C)OC(=O)N[C@H](/C=C/[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)O.
What is the InChIKey of (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid?
The InChIKey is QOMPPLAGYHEWMX-RURFIKTLSA-N. The full InChI is InChI=1S/C25H33NO4Si/c1-24(2,3)30-23(29)26-21(22(27)28)17-18-31(25(4,5)6,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-18,21H,1-6H3,(H,26,29)(H,27,28)/b18-17+/t21-/m1/s1.
What are the key properties of (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid?
(E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid has a molecular weight of 439.63 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-[tert-butyl(diphenyl)silyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enoic acid is sourced from PubChem (CID 10741724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).