3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid

C12H25NO4Si — CID 90919291

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid
SMILESCCCONC(=CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H25NO4Si/c1-7-8-16-13-10(11(14)15)9-17-18(5,6)12(2,3)4/h9,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyVLMMMMBWUKNFJC-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.87
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid

3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid (PubChem CID 90919291) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid
PubChem CID90919291
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid
SMILESCCCONC(=CO[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H25NO4Si/c1-7-8-16-13-10(11(14)15)9-17-18(5,6)12(2,3)4/h9,13H,7-8H2,1-6H3,(H,14,15)
InChIKeyVLMMMMBWUKNFJC-UHFFFAOYSA-N
XLogP2.87
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-4-en-2-one
CID 121003101
ethyl (Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylprop-2-enoate
CID 11844681
lithium (Z)-2-[tert-butyl(dimethyl)silyl]oxy-1-methoxyethenolate
CID 101062901
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
CID 57178030
acetic acid;1-(propoxyamino)oxypropane
CID 173174006
N-propoxyoctanamide
CID 174987362
methyl 2-oxo-2-(propoxyamino)acetate
CID 15007507
tert-butyl-dimethyl-[(Z)-2-trimethylsilyloxyprop-1-enoxy]silane
CID 90756977
methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoate
CID 101115916
[3-amino-2-[tert-butyl(dimethyl)silyl]oxybutyl]-methylcarbamic acid
CID 90042224
tert-butyl-(4-methoxybuta-1,3-dienoxy)-dimethylsilane
CID 173308840
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 14264897

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid (CID 90919291) is 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid is CCCONC(=CO[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid?
The InChIKey is VLMMMMBWUKNFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-7-8-16-13-10(11(14)15)9-17-18(5,6)12(2,3)4/h9,13H,7-8H2,1-6H3,(H,14,15).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid has a molecular weight of 275.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2-(propoxyamino)prop-2-enoic acid is sourced from PubChem (CID 90919291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).