[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate

C12H25NO4Si — CID 91752616

IUPAC[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NC(C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-8-16-11(15)13-9(2)10(14)17-18(6,7)12(3,4)5/h9H,8H2,1-7H3,(H,13,15)
InChIKeyVFYNXWXELFFSJS-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.67
Rot. Bonds4

About [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate

[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate (PubChem CID 91752616) has the molecular formula C12H25NO4Si and a molecular weight of 275.42 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
PubChem CID91752616
Molecular FormulaC12H25NO4Si
Molecular Weight275.42 g/mol
Exact Mass275.16
IUPAC Name[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate
SMILESCCOC(=O)NC(C)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO4Si/c1-8-16-11(15)13-9(2)10(14)17-18(6,7)12(3,4)5/h9H,8H2,1-7H3,(H,13,15)
InChIKeyVFYNXWXELFFSJS-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.67
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

[tert-butyl(dimethyl)silyl] (2S,3S)-3-methyl-2-(2-methylpropoxycarbonylamino)pentanoate
CID 91753755
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567
ethyl N-(4-bromo-3-oxobutan-2-yl)carbamate
CID 104700701
ethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 174136590
[tert-butyl(dimethyl)silyl] 2-(2-methylpropoxycarbonylamino)acetate
CID 529362
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate (CID 91752616) is [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate is CCOC(=O)NC(C)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate?
The InChIKey is VFYNXWXELFFSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4Si/c1-8-16-11(15)13-9(2)10(14)17-18(6,7)12(3,4)5/h9H,8H2,1-7H3,(H,13,15).
What are the key properties of [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate?
[tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate has a molecular weight of 275.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-(ethoxycarbonylamino)propanoate is sourced from PubChem (CID 91752616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).