trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate

C14H20N2O2Si — CID 85288956

IUPACtrimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
SMILESC[Si](C)(C)OC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H20N2O2Si/c1-19(2,3)18-14(17)12(15)8-10-9-16-13-7-5-4-6-11(10)13/h4-7,9,12,16H,8,15H2,1-3H3
InChIKeyCZNHYJUEEBXUES-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.42
Rot. Bonds4

About trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate

trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate (PubChem CID 85288956) has the molecular formula C14H20N2O2Si and a molecular weight of 276.41 g/mol. Its IUPAC name is trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
PubChem CID85288956
Molecular FormulaC14H20N2O2Si
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Nametrimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate
SMILESC[Si](C)(C)OC(=O)C(N)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H20N2O2Si/c1-19(2,3)18-14(17)12(15)8-10-9-16-13-7-5-4-6-11(10)13/h4-7,9,12,16H,8,15H2,1-3H3
InChIKeyCZNHYJUEEBXUES-UHFFFAOYSA-N
XLogP2.42
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
sulfanyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 175583817
[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl] (2S)-2-amino-4-methylpentanoate
CID 54443221
diethylboranyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 99773095
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
3-methylbutyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 22597671
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
(2R)-2-amino-3-(1H-indol-3-yl)propanoyl fluoride
CID 175991895
CID 70188356
CID 70188356

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate?
The IUPAC name of trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate (CID 85288956) is trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate?
The canonical SMILES for trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate is C[Si](C)(C)OC(=O)C(N)Cc1c[nH]c2ccccc12.
What is the InChIKey of trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate?
The InChIKey is CZNHYJUEEBXUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2Si/c1-19(2,3)18-14(17)12(15)8-10-9-16-13-7-5-4-6-11(10)13/h4-7,9,12,16H,8,15H2,1-3H3.
What are the key properties of trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate?
trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate has a molecular weight of 276.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-amino-3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 85288956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).