(1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate

C8H19NO4Si — CID 173133552

IUPAC(1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate
SMILESCOC(CC[SiH2]C)(OC)OC(=O)CN
InChIInChI=1S/C8H19NO4Si/c1-11-8(12-2,4-5-14-3)13-7(10)6-9/h4-6,9,14H2,1-3H3
InChIKeyCUGPJPPBZCFXNF-UHFFFAOYSA-N
MW221.33 g/mol
LogP-0.54
Rot. Bonds7

About (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate

(1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate (PubChem CID 173133552) has the molecular formula C8H19NO4Si and a molecular weight of 221.33 g/mol. Its IUPAC name is (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate.

Molecular Properties

Compound Name(1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate
PubChem CID173133552
Molecular FormulaC8H19NO4Si
Molecular Weight221.33 g/mol
Exact Mass221.11
IUPAC Name(1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate
SMILESCOC(CC[SiH2]C)(OC)OC(=O)CN
InChIInChI=1S/C8H19NO4Si/c1-11-8(12-2,4-5-14-3)13-7(10)6-9/h4-6,9,14H2,1-3H3
InChIKeyCUGPJPPBZCFXNF-UHFFFAOYSA-N
XLogP-0.54
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-aminoacetate;ethane
CID 143116857
potassium;hydride;methyl 2-aminoacetate
CID 175381316
ethane-1,2-diol;methyl 2-aminoacetate
CID 122528539
2-(4-chlorophenyl)propan-2-yl 2-aminoacetate
CID 175017464
amino 2,2-diamino-2-(2-aminoacetyl)oxyacetate
CID 163655250
1-amino-3-methoxy-3-methylbutan-2-one
CID 103022654
(2-methoxy-2-oxoethyl) 2-aminoacetate
CID 87368434
ethyl 2-aminoacetate
CID 45039361
1,1-dimethoxybutoxy 1,1-dimethoxybutyl carbonate
CID 88625127
methyl 2-aminoacetate;methyl carbamodithioate
CID 175268095
2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
CID 160872779
[hydroxy(dimethoxy)silyl] 2-aminoacetate
CID 175388037

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate?
The IUPAC name of (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate (CID 173133552) is (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate.
What is the SMILES notation for (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate?
The canonical SMILES for (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate is COC(CC[SiH2]C)(OC)OC(=O)CN.
What is the InChIKey of (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate?
The InChIKey is CUGPJPPBZCFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO4Si/c1-11-8(12-2,4-5-14-3)13-7(10)6-9/h4-6,9,14H2,1-3H3.
What are the key properties of (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate?
(1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate has a molecular weight of 221.33 g/mol, XLogP of -0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethoxy-3-methylsilylpropyl) 2-aminoacetate is sourced from PubChem (CID 173133552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).