1-trimethoxysilylpropan-2-yl 2-aminoacetate

C8H19NO5Si — CID 87438269

IUPAC1-trimethoxysilylpropan-2-yl 2-aminoacetate
SMILESCO[Si](CC(C)OC(=O)CN)(OC)OC
InChIInChI=1S/C8H19NO5Si/c1-7(14-8(10)5-9)6-15(11-2,12-3)13-4/h7H,5-6,9H2,1-4H3
InChIKeyJCAIRCAFYVNXDR-UHFFFAOYSA-N
MW237.33 g/mol
LogP-0.25
Rot. Bonds7

About 1-trimethoxysilylpropan-2-yl 2-aminoacetate

1-trimethoxysilylpropan-2-yl 2-aminoacetate (PubChem CID 87438269) has the molecular formula C8H19NO5Si and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-trimethoxysilylpropan-2-yl 2-aminoacetate.

Molecular Properties

Compound Name1-trimethoxysilylpropan-2-yl 2-aminoacetate
PubChem CID87438269
Molecular FormulaC8H19NO5Si
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC Name1-trimethoxysilylpropan-2-yl 2-aminoacetate
SMILESCO[Si](CC(C)OC(=O)CN)(OC)OC
InChIInChI=1S/C8H19NO5Si/c1-7(14-8(10)5-9)6-15(11-2,12-3)13-4/h7H,5-6,9H2,1-4H3
InChIKeyJCAIRCAFYVNXDR-UHFFFAOYSA-N
XLogP-0.25
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-trimethoxysilylpropan-2-yl carbamate
CID 175411103
butan-2-yl 2-aminoacetate;sulfuric acid
CID 175046823
[hydroxy(dimethoxy)silyl] 2-aminoacetate
CID 175388037
4-methylpentan-2-yl 2-aminoacetate;phenol
CID 145114539
[(2R)-4-trimethoxysilylbutan-2-yl] prop-2-enoate
CID 141155203
phenylmethanethiol;1-phenylpropan-2-yl 2-aminoacetate
CID 142299066
(2S,3R)-2-amino-3-(2-aminoacetyl)oxybutanoic acid;hydrate
CID 132647917
2-(aminomethyl)-3-trimethoxysilylpropan-1-ol
CID 154196411
2-trimethoxysilylethyl 2-methylpropanoate
CID 59172701
[ditert-butyl(propan-2-yl)silyl] 2-methyl-3-trimethoxysilylpropanoate
CID 155659391
(2S)-2-aminopropanoic acid;methyl 2-aminoacetate;hydrochloride
CID 175513971
potassium;hydride;methyl 2-aminoacetate
CID 175381316

Frequently Asked Questions

What is the IUPAC name of 1-trimethoxysilylpropan-2-yl 2-aminoacetate?
The IUPAC name of 1-trimethoxysilylpropan-2-yl 2-aminoacetate (CID 87438269) is 1-trimethoxysilylpropan-2-yl 2-aminoacetate.
What is the SMILES notation for 1-trimethoxysilylpropan-2-yl 2-aminoacetate?
The canonical SMILES for 1-trimethoxysilylpropan-2-yl 2-aminoacetate is CO[Si](CC(C)OC(=O)CN)(OC)OC.
What is the InChIKey of 1-trimethoxysilylpropan-2-yl 2-aminoacetate?
The InChIKey is JCAIRCAFYVNXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5Si/c1-7(14-8(10)5-9)6-15(11-2,12-3)13-4/h7H,5-6,9H2,1-4H3.
What are the key properties of 1-trimethoxysilylpropan-2-yl 2-aminoacetate?
1-trimethoxysilylpropan-2-yl 2-aminoacetate has a molecular weight of 237.33 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethoxysilylpropan-2-yl 2-aminoacetate is sourced from PubChem (CID 87438269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).